chembl_id stringlengths 7 13 | canonical_smiles stringlengths 1 1.82k | target_chembl_id stringlengths 9 13 | target_pref_name stringlengths 3 165 | organism stringclasses 531
values | sequence stringlengths 9 34.4k | standard_type stringclasses 8
values | standard_value float64 0 140M | pchembl_value float64 0.85 12.5 | assay_type stringclasses 5
values | confidence_score int64 0 9 |
|---|---|---|---|---|---|---|---|---|---|---|
CHEMBL324340 | Cc1ccc2oc(-c3cccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)nc2c1 | CHEMBL3921 | Heparanase | Homo sapiens | MLLRSKPALPPPLMLLLLGPLGPLSPGALPRPAQAQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQSQVNQDICKYGSIPPDVEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATKEDFLNPDVLDIFI... | IC50 | 2,500 | 5.6 | B | 8 |
CHEMBL109600 | COc1ccccc1-c1ccc2oc(-c3ccc(OC)c(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)nc2c1 | CHEMBL3921 | Heparanase | Homo sapiens | MLLRSKPALPPPLMLLLLGPLGPLSPGALPRPAQAQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQSQVNQDICKYGSIPPDVEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATKEDFLNPDVLDIFI... | IC50 | 9,000 | 5.05 | B | 8 |
CHEMBL357278 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)ccc2s1 | CHEMBL4632 | Peroxisomal acyl-coenzyme A oxidase 1 | Rattus norvegicus | MNPDLRKERASATFNPELITHILDGSPENTRRRREIENLILNDPDFQHEDYNFLTRSQRYEVAVKKSATMVKKMREYGISDPEEIMWFKKLYLANFVEPVGLNYSMFIPTLLNQGTTAQQEKWMRPSQELQIIGTYAQTEMGHGTHLRGLETTATYDPKTQEFILNSPTVTSIKWWPGGLGKTSNHAIVLAQLITQGECYGLHAFVVPIREIGTHKPLPGITVGDIGPKFGYEEMDNGYLKMDNYRIPRENMLMKYAQVKPDGTYVKPLSNKLTYGTMVFVRSFLVGNAAQSLSKACTIAIRYSAVRRQSEIKQSEPEPQ... | IC50 | 4,000 | 5.4 | B | 8 |
CHEMBL357119 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCCc4ccccc4)CC3)ccc2s1 | CHEMBL4632 | Peroxisomal acyl-coenzyme A oxidase 1 | Rattus norvegicus | MNPDLRKERASATFNPELITHILDGSPENTRRRREIENLILNDPDFQHEDYNFLTRSQRYEVAVKKSATMVKKMREYGISDPEEIMWFKKLYLANFVEPVGLNYSMFIPTLLNQGTTAQQEKWMRPSQELQIIGTYAQTEMGHGTHLRGLETTATYDPKTQEFILNSPTVTSIKWWPGGLGKTSNHAIVLAQLITQGECYGLHAFVVPIREIGTHKPLPGITVGDIGPKFGYEEMDNGYLKMDNYRIPRENMLMKYAQVKPDGTYVKPLSNKLTYGTMVFVRSFLVGNAAQSLSKACTIAIRYSAVRRQSEIKQSEPEPQ... | IC50 | 17,000 | 4.77 | B | 8 |
CHEMBL152968 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(-c5ccccc5)c4)CC3)ccc2s1 | CHEMBL4632 | Peroxisomal acyl-coenzyme A oxidase 1 | Rattus norvegicus | MNPDLRKERASATFNPELITHILDGSPENTRRRREIENLILNDPDFQHEDYNFLTRSQRYEVAVKKSATMVKKMREYGISDPEEIMWFKKLYLANFVEPVGLNYSMFIPTLLNQGTTAQQEKWMRPSQELQIIGTYAQTEMGHGTHLRGLETTATYDPKTQEFILNSPTVTSIKWWPGGLGKTSNHAIVLAQLITQGECYGLHAFVVPIREIGTHKPLPGITVGDIGPKFGYEEMDNGYLKMDNYRIPRENMLMKYAQVKPDGTYVKPLSNKLTYGTMVFVRSFLVGNAAQSLSKACTIAIRYSAVRRQSEIKQSEPEPQ... | IC50 | 180 | 6.75 | B | 8 |
CHEMBL152968 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(-c5ccccc5)c4)CC3)ccc2s1 | CHEMBL3356 | Cytochrome P450 1A2 | Homo sapiens | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFD... | IC50 | 6,000 | 5.22 | A | 8 |
CHEMBL152968 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(-c5ccccc5)c4)CC3)ccc2s1 | CHEMBL340 | Cytochrome P450 3A4 | Homo sapiens | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYE... | IC50 | 37,000 | 4.43 | A | 8 |
CHEMBL152968 | Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(-c5ccccc5)c4)CC3)ccc2s1 | CHEMBL3397 | Cytochrome P450 2C9 | Homo sapiens | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVT... | IC50 | 24,000 | 4.62 | A | 8 |
CHEMBL268177 | Nc1ccc(S(N)(=O)=O)cc1I | CHEMBL261 | Carbonic anhydrase 1 | Homo sapiens | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF | Ki | 6,000 | 5.22 | B | 8 |
CHEMBL268177 | Nc1ccc(S(N)(=O)=O)cc1I | CHEMBL205 | Carbonic anhydrase 2 | Homo sapiens | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK | Ki | 70 | 7.16 | B | 8 |
CHEMBL268177 | Nc1ccc(S(N)(=O)=O)cc1I | CHEMBL3594 | Carbonic anhydrase 9 | Homo sapiens | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSD... | Ki | 285 | 6.54 | B | 8 |
CHEMBL268177 | Nc1ccc(S(N)(=O)=O)cc1I | CHEMBL2186 | Carbonic anhydrase 13 | Mus musculus | MARLSWGYGEHNGPIHWNELFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPASAKIISNSGHSFNVDFDDTEDKSVLRGGPLTGNYRLRQFHLHWGSADDHGSEHVVDGVRYAAELHVVHWNSDKYPSFVEAAHESDGLAVLGVFLQIGEHNPQLQKITDILDSIKEKGKQTRFTNFDPLCLLPSSWDYWTYPGSLTVPPLLESVTWIVLKQPISISSQQLARFRSLLCTAEGESAAFLLSNHRPPQPLKGRRVRASFY | Ki | 50 | 7.3 | B | 8 |
CHEMBL268439 | Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 | CHEMBL261 | Carbonic anhydrase 1 | Homo sapiens | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF | Ki | 6 | 8.22 | B | 8 |
CHEMBL268439 | Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 | CHEMBL205 | Carbonic anhydrase 2 | Homo sapiens | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK | Ki | 2 | 8.7 | B | 8 |
CHEMBL268439 | Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 | CHEMBL3594 | Carbonic anhydrase 9 | Homo sapiens | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSD... | Ki | 38 | 7.42 | B | 8 |
CHEMBL268439 | Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 | CHEMBL2186 | Carbonic anhydrase 13 | Mus musculus | MARLSWGYGEHNGPIHWNELFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPASAKIISNSGHSFNVDFDDTEDKSVLRGGPLTGNYRLRQFHLHWGSADDHGSEHVVDGVRYAAELHVVHWNSDKYPSFVEAAHESDGLAVLGVFLQIGEHNPQLQKITDILDSIKEKGKQTRFTNFDPLCLLPSSWDYWTYPGSLTVPPLLESVTWIVLKQPISISSQQLARFRSLLCTAEGESAAFLLSNHRPPQPLKGRRVRASFY | Ki | 2 | 8.7 | B | 8 |
CHEMBL54530 | Cc1cc(Nc2cc(O)nc(O)n2)ccc1N | CHEMBL4320 | DNA topoisomerase 3 | Bacillus subtilis (strain 168) | MSKTVVLAEKPSVGRDLARVLKCHKKGNGYLEGDQYIVTWALGHLVTLADPEGYGKEFQSWRLEDLPIIPEPLKLVVIKKTGKQFNAVKSQLTRKDVNQIVIATDAGREGELVARWIIEKANVRKPIKRLWISSVTDKAIKEGFQKLRSGKEYENLYHSAVARAEADWIVGINATRALTTKFNAQLSCGRVQTPTLAMIAKREADIQAFTPVPYYGIRAAVDGMTLTWQDKKSKQTRTFNQDVTSRLLKNLQGKQAVVAELKKTAKKSFAPALYDLTELQRDAHKRFGFSAKETLSVLQKLYEQHKLVTYPRTDSRFLSS... | Ki | 19,010.78 | 4.72 | B | 8 |
CHEMBL302907 | N=C(N)Nc1nc(CSCCNc2n[s+]([O-])nc2N)cs1 | CHEMBL2882 | Histamine H2 receptor | Cavia porcellus | MAFNGTVPSFCMDFTVYKVTISVILIILILVTVAGNVVVCLAVGLNRRLRSLTNCFIVSLAVTDLLLGLLVLPFSAIYQLSCKWSFSKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLITPARVAISLVFIWVISITLSFLSIHLGWNSRNETSKDNDTIVKCKVQVNEVYGLVDGLVTFYLPLLIMCITYFRIFKIAREQARRINHIGSWKAATIREHKATVTLAAVMGAFIICWFPYFTVFVYRGLKGDDAVNEVFEDVVLWLGYANSALNPILYAALNRDFRTAYHQLFCCRLASHNSHETSLRLN... | Kd | 25.12 | 7.6 | F | 9 |
CHEMBL302907 | N=C(N)Nc1nc(CSCCNc2n[s+]([O-])nc2N)cs1 | CHEMBL2095166 | Adrenergic receptor beta | Rattus norvegicus | MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMG... | Kd | 50,118.72 | 4.3 | F | 4 |
CHEMBL305153 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | CHEMBL5471 | Beta-1 adrenergic receptor | Cavia porcellus | MGAGVLALGASEPCNLSSTAPLPDGAATAARLLVPASPPASLLPPTSEGSEPLSPQWTAGMGLLMVLIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARVLVCTVWAISALVSFLPILMHWWRAEGDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPGRPPSPVPSPTPGSPRAATDPLANGRTSKRRPSRLVALREQKALKTLGIIM... | Kd | 37.15 | 7.43 | F | 9 |
CHEMBL305153 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | CHEMBL5414 | Beta-2 adrenergic receptor | Cavia porcellus | MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSA... | Kd | 16.98 | 7.77 | F | 9 |
CHEMBL305153 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | CHEMBL213 | Beta-1 adrenergic receptor | Homo sapiens | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQ... | IC50 | 29.4 | 7.53 | B | 8 |
CHEMBL305153 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | CHEMBL3373 | Beta-2 adrenergic receptor | Bos taurus | MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSA... | IC50 | 30.8 | 7.51 | B | 8 |
CHEMBL156707 | O=C(O)c1cnc2cc(OCCOc3ccc4ccccc4c3)ccc2c1O | CHEMBL3444 | Malate dehydrogenase, mitochondrial | Sus scrofa | MLSALARPAGAALRRSFSTSXQNNAKVAVLGASGGIGQPLSLLLKNSPLVSRLTLYDIAHTPGVAADLSHIETRATVKGYLGPEQLPDCLKGCDVVVIPAGVPRKPGMTRDDLFNTNATIVATLTAACAQHCPDAMICIISNPVNSTIPITAEVFKKHGVYNPNKIFGVTTLDIVRANAFVAELKGLDPARVSVPVIGGHAGKTIIPLISQCTPKVDFPQDQLSTLTGRIQEAGTEVVKAKAGAGSATLSMAYAGARFVFSLVDAMNGKEGVVECSFVKSQETDCPYFSTPLLLGKKGIEKNLGIGKISPFEEKMIAEAI... | IC50 | 1,584.89 | 5.8 | B | 8 |
CHEMBL279087 | CCOC(=O)c1cn2c(n1)sc1ccccc12 | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 120 | 6.92 | B | 5 |
CHEMBL279969 | CCSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC2 | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 1,850 | 5.73 | B | 5 |
CHEMBL20214 | CCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 34 | 7.47 | B | 5 |
CHEMBL277617 | CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 107 | 6.97 | B | 5 |
CHEMBL3350133 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5 | CHEMBL2095156 | Opioid receptors; mu & kappa | Homo sapiens | MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGY... | IC50 | 22 | 7.66 | F | 4 |
CHEMBL3350133 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5 | CHEMBL4354 | Mu-type opioid receptor | Cavia porcellus | YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI | Ki | 44 | 7.36 | B | 9 |
CHEMBL3350133 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5 | CHEMBL3952 | Kappa-type opioid receptor | Cavia porcellus | MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGY... | Ki | 590 | 6.23 | B | 9 |
CHEMBL3350133 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5 | CHEMBL236 | Delta-type opioid receptor | Homo sapiens | MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAF... | Ki | 110 | 6.96 | B | 8 |
CHEMBL15886 | CC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O.[I-] | CHEMBL3199 | Acetylcholinesterase | Rattus norvegicus | MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVL... | IC50 | 100,000 | 4 | B | 9 |
CHEMBL1202755 | CC(CCCc1cccnc1)NC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1.Cl.Cl | CHEMBL1835 | Thromboxane-A synthase | Homo sapiens | MEALGFLKLEVNGPMVTVALSVALLALLKWYSTSAFSRLEKLGLRHPKPSPFIGNLTFFRQGFWESQMELRKLYGPLCGYYLGRRMFIVISEPDMIKQVLVENFSNFTNRMASGLEFKSVADSVLFLRDKRWEEVRGALMSAFSPEKLNEMVPLISQACDLLLAHLKRYAESGDAFDIQRCYCNYTTDVVASVAFGTPVDSWQAPEDPFVKHCKRFFEFCIPRPILVLLLSFPSIMVPLARILPNKNRDELNGFFNKLIRNVIALRDQQAAEERRRDFLQMVLDARHSASPMGVQDFDIVRDVFSSTGCKPNPSRQHQPS... | IC50 | 1,000 | 6 | B | 8 |
CHEMBL23228 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(C)c1O | CHEMBL339 | D(2) dopamine receptor | Rattus norvegicus | MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPD... | IC50 | 19 | 7.72 | B | 8 |
CHEMBL21222 | COc1cc2nc(C(=O)c3ccccc3)cn2c2ccc(C(C)C)cc12 | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 10 | 8 | B | 5 |
CHEMBL21087 | CC(C)OC(=O)c1cn2c(n1)sc1ccccc12 | CHEMBL1907607 | GABA-A receptor; anion channel | Rattus norvegicus | MSYSLYLAFVCLNLLAQRMCIQGNQFNVEVSRSDKLSLPGFENLTAGYNKFLRPNFGGDPVRIALTLDIASISSISESNMDYTATIYLRQRWTDPRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVTCNMDLSKYPMDTQTCKLQLESWGYDGNDVEFSWLRGNDSVRGLENLRLAQYTIQQYFTLVTVSQQETGNYTRLVLQFELRRNVLYFILETYVPSTFLVVLSWVSFWISLESVPARTCIGVTTVLSMTTLMIGSRTSLPNTNCFIKAIDVYLGICFSFVFGA... | IC50 | 160 | 6.8 | B | 5 |
CHEMBL303519 | c1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1 | CHEMBL217 | D(2) dopamine receptor | Homo sapiens | MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPD... | IC50 | 9,800 | 5.01 | B | 8 |
CHEMBL303519 | c1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1 | CHEMBL234 | D(3) dopamine receptor | Homo sapiens | MASLSQLSGHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGV... | IC50 | 5,600 | 5.25 | B | 8 |
CHEMBL303519 | c1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1 | CHEMBL219 | D(4) dopamine receptor | Homo sapiens | MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPSLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAA... | IC50 | 20 | 7.7 | B | 8 |
CHEMBL48946 | COc1cc(OC)c(NC(=O)N(c2ccccc2)c2nnn(CCCCCCCCOC3CCCCO3)n2)c(OC)c1 | CHEMBL285 | Sterol O-acyltransferase 1 | Rattus norvegicus | MVGEETSLRNRLSRSAENPEQDEAQKNLLDTHRNGHITMKQLIAKKRQLAAEAEELKPLFLKEVGCHFDDFVTNLIDKSASLDNGGCALTTFSILEEMKNNHRAKDLRAPPEQGKIFISRRSLLDELFEVDHIRTIYHMFIALLIIFILSTLVVDYIDEGRLVLEFSLLAYAFGQFPIVIWTWWAMFLSTLAIPYFLFQRWAHGYSKSSHPLIYSLIHGAFFLVFQLGILGFIPTYVVLAYTLPPASRFILILEQIRLVMKAHSYVRENVPRVLSAAKEKSSTVPVPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAM... | IC50 | 41 | 7.39 | B | 9 |
CHEMBL415967 | O=P(O)(O)C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 | CHEMBL4791 | Endothelin-converting enzyme 1 | Homo sapiens | MRGVWPPPVSALLSALGMSTYKRATLDEEDLVDSLSEGDAYPNGLQVNFHSPRSGQRCWAARTQVEKRLVVLVVLLAAGLVACLAALGIQYQTRSPSVCLSEACVSVTSSILSSMDPTVDPCHDFFSYACGGWIKANPVPDGHSRWGTFSNLWEHNQAIIKHLLENSTASVSEAERKAQVYYRACMNETRIEELRAKPLMELIERLGGWNITGPWAKDNFQDTLQVVTAHYRTSPFFSVYVSADSKNSNSNVIQVDQSGLGLPSRDYYLNKTENEKVLTGYLNYMVQLGKLLGGGDEEAIRPQMQQILDFETALANITIP... | IC50 | 45 | 7.35 | B | 8 |
CHEMBL415967 | O=P(O)(O)C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 | CHEMBL1944 | Neprilysin | Homo sapiens | MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYATYDDGICKSSDCIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKDVLQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGASWTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLYNKMTLAQIQNNFSLEINGKP... | IC50 | 6.9 | 8.16 | B | 9 |
CHEMBL50381 | COc1ccc(-c2nc(SCCCCCN(CCCn3ccnc3)C(=O)NC(C)C)[nH]c2-c2ccc(OC)cc2)cc1 | CHEMBL4464 | Sterol O-acyltransferase 1 | Mus musculus | MSLRNRLSKSGENPEQDEAQKNFMDTYRNGHITMKQLIAKKRLLAAEAEELKPLFMKEVGCHFDDFVTNLIEKSASLDNGGCALTTFSILEEMKKNHRAKDLRAPPEQGKIFISRQSLLDELFEVDHIRTIYHMFIALLILFVLSTIVVDYIDEGRLVLEFNLLAYAFGKFPTVIWTWWAMFLSTLSIPYFLFQRWAHGYSKSSHPLIYSLVHGLLFLVFQLGVLGFVPTYVVLAYTLPPASRFILILEQIRLIMKAHSFVRENIPRVLNAAKEKSSKDPLPTVNQYLYFLFAPTLIYRDNYPRTPTVRWGYVAMQFLQV... | IC50 | 5,500 | 5.26 | B | 9 |
CHEMBL431940 | CN(C)c1ccc(-c2nc(SCCCCCN(CCCCCSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)C(=O)Nc3ccc(F)cc3F)[nH]c2-c2ccc(N(C)C)cc2)cc1 | CHEMBL285 | Sterol O-acyltransferase 1 | Rattus norvegicus | MVGEETSLRNRLSRSAENPEQDEAQKNLLDTHRNGHITMKQLIAKKRQLAAEAEELKPLFLKEVGCHFDDFVTNLIDKSASLDNGGCALTTFSILEEMKNNHRAKDLRAPPEQGKIFISRRSLLDELFEVDHIRTIYHMFIALLIIFILSTLVVDYIDEGRLVLEFSLLAYAFGQFPIVIWTWWAMFLSTLAIPYFLFQRWAHGYSKSSHPLIYSLIHGAFFLVFQLGILGFIPTYVVLAYTLPPASRFILILEQIRLVMKAHSYVRENVPRVLSAAKEKSSTVPVPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAM... | IC50 | 3 | 8.52 | B | 9 |
CHEMBL431940 | CN(C)c1ccc(-c2nc(SCCCCCN(CCCCCSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)C(=O)Nc3ccc(F)cc3F)[nH]c2-c2ccc(N(C)C)cc2)cc1 | CHEMBL4464 | Sterol O-acyltransferase 1 | Mus musculus | MSLRNRLSKSGENPEQDEAQKNFMDTYRNGHITMKQLIAKKRLLAAEAEELKPLFMKEVGCHFDDFVTNLIEKSASLDNGGCALTTFSILEEMKKNHRAKDLRAPPEQGKIFISRQSLLDELFEVDHIRTIYHMFIALLILFVLSTIVVDYIDEGRLVLEFNLLAYAFGKFPTVIWTWWAMFLSTLSIPYFLFQRWAHGYSKSSHPLIYSLVHGLLFLVFQLGVLGFVPTYVVLAYTLPPASRFILILEQIRLIMKAHSFVRENIPRVLNAAKEKSSKDPLPTVNQYLYFLFAPTLIYRDNYPRTPTVRWGYVAMQFLQV... | IC50 | 450 | 6.35 | B | 9 |
CHEMBL140442 | COC(=O)CC[C@H](CCO)C[C@@H](C)[C@@H]1CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1 | CHEMBL1902 | Peptidyl-prolyl cis-trans isomerase FKBP1A | Homo sapiens | MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE | IC50 | 3.4 | 8.47 | B | 8 |
CHEMBL117716 | N=C(N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc3ccccc3n2)NS(=O)(=O)Cc2ccccc2)C1O | CHEMBL244 | Coagulation factor X | Homo sapiens | MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYD... | IC50 | 44.4 | 7.35 | B | 8 |
CHEMBL117716 | N=C(N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc3ccccc3n2)NS(=O)(=O)Cc2ccccc2)C1O | CHEMBL204 | Prothrombin | Homo sapiens | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEY... | IC50 | 1,270 | 5.9 | B | 8 |
CHEMBL117716 | N=C(N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc3ccccc3n2)NS(=O)(=O)Cc2ccccc2)C1O | CHEMBL1801 | Plasminogen | Homo sapiens | MEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECAAKCEEDEEFTCRAFQYHSKEQQCVIMAENRKSSIIIRMRDVVLFEKKVYLSECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILECEEECMHCSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLKKNYCRNPDRELRPWCFTTDPNKRWELCDIPRCTTPPPSSGPTYQCLKGTGENYRGNVAVTVSGHTCQHWSAQTPHTHNRTPENFPCKNLD... | IC50 | 1,440 | 5.84 | B | 8 |
CHEMBL117716 | N=C(N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc3ccccc3n2)NS(=O)(=O)Cc2ccccc2)C1O | CHEMBL209 | Serine protease 1 | Homo sapiens | MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS | IC50 | 59.2 | 7.23 | B | 8 |
CHEMBL345415 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | CHEMBL1907609 | Muscarinic acetylcholine receptor | Rattus norvegicus | MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPK... | IC50 | 181 | 6.74 | B | 4 |
CHEMBL345415 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | CHEMBL1907609 | Muscarinic acetylcholine receptor | Rattus norvegicus | MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPK... | IC50 | 1.07 | 8.97 | B | 4 |
CHEMBL345415 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | CHEMBL216 | Muscarinic acetylcholine receptor M1 | Homo sapiens | MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPR... | ED50 | 120 | 6.92 | F | 8 |
CHEMBL345415 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | CHEMBL211 | Muscarinic acetylcholine receptor M2 | Homo sapiens | MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENS... | ED50 | 4.2 | 8.38 | F | 8 |
CHEMBL326085 | COc1cc(C)cc2c1Oc1ccc([C@H](CC(C)C)OC(C)=O)c(OC)c1C(=O)OC2 | CHEMBL3996 | Oxytocin receptor | Rattus norvegicus | MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLN... | IC50 | 21,000 | 4.68 | B | 8 |
CHEMBL340006 | CN1CCc2cc(O)c(Cl)cc2CC1 | CHEMBL265 | D(1A) dopamine receptor | Rattus norvegicus | MAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFG... | Ki | 46 | 7.34 | B | 8 |
CHEMBL340006 | CN1CCc2cc(O)c(Cl)cc2CC1 | CHEMBL339 | D(2) dopamine receptor | Rattus norvegicus | MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPD... | Ki | 265 | 6.58 | B | 8 |
CHEMBL336532 | CN1CCc2cc(Cl)c(O)cc2C(C2CCCCCC2)C1 | CHEMBL265 | D(1A) dopamine receptor | Rattus norvegicus | MAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFG... | Ki | 7.6 | 8.12 | B | 8 |
CHEMBL336532 | CN1CCc2cc(Cl)c(O)cc2C(C2CCCCCC2)C1 | CHEMBL339 | D(2) dopamine receptor | Rattus norvegicus | MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPD... | Ki | 1,190 | 5.92 | B | 8 |
CHEMBL297654 | CCCc1nc(N(CCC)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)sc1C(=O)O | CHEMBL2094256 | Angiotensin II receptor | Homo sapiens | MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYI... | Kd | 37.15 | 7.43 | F | 4 |
CHEMBL300191 | CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C(F)(F)F)c(C(=O)O)s1 | CHEMBL2094256 | Angiotensin II receptor | Homo sapiens | MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYI... | Kd | 27.54 | 7.56 | F | 4 |
CHEMBL79591 | COc1cc2c(cc1O)CCCc1cc(OC)c(OC)c(OC)c1-2 | CHEMBL2094134 | Tubulin | Bos taurus | MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGR... | IC50 | 5,300 | 5.28 | B | 5 |
CHEMBL86971 | CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O | CHEMBL243 | Human immunodeficiency virus type 1 protease | Human immunodeficiency virus 1 | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | Ki | 0.8 | 9.1 | B | 8 |
CHEMBL78855 | CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)O | CHEMBL2095197 | Protein farnesyltransferase | Rattus norvegicus | MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | IC50 | 5,200 | 5.28 | B | 6 |
CHEMBL21521 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F | CHEMBL3027 | Neurotensin receptor type 1 | Rattus norvegicus | MHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVC... | Kd | 300 | 6.52 | B | 8 |
CHEMBL15928 | COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 | CHEMBL214 | 5-hydroxytryptamine receptor 1A | Homo sapiens | MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPAS... | Ki | 72 | 7.14 | B | 9 |
CHEMBL15928 | COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 | CHEMBL1983 | 5-hydroxytryptamine receptor 1D | Homo sapiens | MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVV... | Ki | 0.7 | 9.15 | B | 9 |
CHEMBL15928 | COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 | CHEMBL1898 | 5-hydroxytryptamine receptor 1B | Homo sapiens | MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIIL... | Ki | 0.14 | 9.85 | B | 9 |
CHEMBL169084 | CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C | CHEMBL283 | Stromelysin-1 | Homo sapiens | MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVSTLRGEILIFKDRHFWRKSLR... | Ki | 13 | 7.89 | B | 8 |
CHEMBL169084 | CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C | CHEMBL332 | Interstitial collagenase | Homo sapiens | MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVF... | Ki | 13 | 7.89 | B | 8 |
CHEMBL1160562 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(F)(F)CCCC(F)(F)P(=O)(O)O)[C@@H](O)[C@H]1O | CHEMBL2096677 | Phosphoglycerate kinase | Homo sapiens | MSLSNKLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPES... | Kd | 6,000 | 5.22 | B | 4 |
CHEMBL302455 | Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)c4ccccc4)C(=O)NO)C3=O)cc2)c2ccccc2n1 | CHEMBL3332 | Disintegrin and metalloproteinase domain-containing protein 17 | Sus scrofa | MRQCALFLTSLVPIVLAPRPPDEPGFGSPQRLEKLDSLLSDYDILSLSSIRQHSVRKRDLQASTHLETLLTFSALNRHFKLYLTSSTERFSQNFKVVVVDGEDESEYPVKWQDFFSGHVVGEPDSRVLAHIGDDDITVRINTDGAEYNIEPLWRLINDTKDKRVLVYKSEDIKNVSRLQSPKVCGYIKADNEELLPKGLVDREPPDELVHRVKRRADPNPLRNTCKLLVVADHRFYKYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGERHYNMAKSYPNEEKDAWDVKMLLEQ... | IC50 | 1 | 9 | B | 8 |
CHEMBL302455 | Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)c4ccccc4)C(=O)NO)C3=O)cc2)c2ccccc2n1 | CHEMBL333 | 72 kDa type IV collagenase | Homo sapiens | MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTT... | Ki | 435 | 6.36 | B | 8 |
CHEMBL302455 | Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)c4ccccc4)C(=O)NO)C3=O)cc2)c2ccccc2n1 | CHEMBL3706 | Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens | MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQ... | IC50 | 9,100 | 5.04 | F | 9 |
CHEMBL60373 | COC(=O)N[C@H](C(=O)NO)[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O | CHEMBL333 | 72 kDa type IV collagenase | Homo sapiens | MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTT... | Ki | 482 | 6.32 | B | 8 |
CHEMBL60373 | COC(=O)N[C@H](C(=O)NO)[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O | CHEMBL3706 | Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens | MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQ... | IC50 | 2,650 | 5.58 | F | 9 |
CHEMBL79902 | COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1 | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 4 | 8.4 | B | 4 |
CHEMBL79902 | COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1 | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 3.981 | 8.4 | B | 4 |
CHEMBL421343 | COc1ccc2c(c1OC1CCCC1)CN(C(C)=O)N=C2Cc1c(Cl)cncc1Cl | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 30 | 7.52 | B | 4 |
CHEMBL421343 | COc1ccc2c(c1OC1CCCC1)CN(C(C)=O)N=C2Cc1c(Cl)cncc1Cl | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 30.2 | 7.52 | B | 4 |
CHEMBL82934 | COc1ccc2c(c1)CN(C(N)=O)N=C2Cc1c(Cl)cncc1Cl | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 36 | 7.44 | B | 4 |
CHEMBL82934 | COc1ccc2c(c1)CN(C(N)=O)N=C2Cc1c(Cl)cncc1Cl | CHEMBL2093863 | Phosphodiesterase 4 | Homo sapiens | MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQ... | IC50 | 36.31 | 7.44 | B | 4 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL2061 | Retinoic acid receptor RXR-alpha | Homo sapiens | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAV... | Ki | 7.8 | 8.11 | B | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL1870 | Retinoic acid receptor RXR-beta | Homo sapiens | MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQTPEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPPPPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVKPPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYSCRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMPVDRILEAELAVEQKSDQGVE... | Ki | 11.5 | 7.94 | B | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL2004 | Retinoic acid receptor RXR-gamma | Homo sapiens | MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPVSAPRTLSAVGTPLNALGSPYRVITSAMGPPSGALAAPPGINLVAPPSSQLNVVNSVSSSEDIKPLPGLPGIGNMNYPSTSPGSLVKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLIYTCRDNKDCLIDKRQRNRCQYCRYQKCLVMGMKREAVQEERQRSRERAESEAECATSGHEDMPVERILEAELAVEPKTESYGDMNMENSTNDPVTNICHAADKQLFTLVEWAKRIPHFSDLTLEDQVILLRAGWNELLIASFSHRSVS... | Ki | 13.2 | 7.88 | B | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL2055 | Retinoic acid receptor alpha | Homo sapiens | MASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPVSGYSTPSPATIETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEVPKPECSESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLE... | Ki | 8,300 | 5.08 | B | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL2008 | Retinoic acid receptor beta | Homo sapiens | MTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLE... | Ki | 5,681 | 5.25 | B | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL2061 | Retinoic acid receptor RXR-alpha | Homo sapiens | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAV... | IC50 | 6.8 | 8.17 | F | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL235 | Peroxisome proliferator-activated receptor gamma | Homo sapiens | MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSFDIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKTQLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNCRIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEA... | EC50 | 63 | 7.2 | F | 8 |
CHEMBL111217 | CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O | CHEMBL235 | Peroxisome proliferator-activated receptor gamma | Homo sapiens | MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSFDIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKTQLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNCRIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEA... | EC50 | 6.4 | 8.19 | F | 8 |
CHEMBL266628 | CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1 | CHEMBL2094250 | Angiotensin II receptor (AT-1) type-1 | Rattus norvegicus | MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYI... | Ki | 4 | 8.4 | B | 4 |
CHEMBL266628 | CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1 | CHEMBL252 | Endothelin-1 receptor | Homo sapiens | METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWF... | Ki | 5 | 8.3 | B | 8 |
CHEMBL415341 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O | CHEMBL259 | Melanocortin receptor 4 | Homo sapiens | MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCY... | EC50 | 9 | 8.05 | F | 8 |
CHEMBL437822 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(cccc3OC(C)C)C2)NC1=O | CHEMBL259 | Melanocortin receptor 4 | Homo sapiens | MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCY... | EC50 | 7 | 8.15 | F | 8 |
CHEMBL437822 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(cccc3OC(C)C)C2)NC1=O | CHEMBL3795 | Melanocyte-stimulating hormone receptor | Homo sapiens | MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW | EC50 | 1,330 | 5.88 | F | 8 |
CHEMBL285848 | CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O | CHEMBL2094108 | Protein farnesyltransferase | Homo sapiens | MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASPMDDGFVSLDSPSYVLYRDRAEWADIDPVPQNDGPNPVVQIIYSDKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLKSLQKDLHEEMNYITAIIEEQPKNYQVWHHRRVLVEWLRDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFKLWDNELQYVDQLLKEDVRNNSVWNQRYFVISNTTGYNDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSKYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | IC50 | 11,900 | 4.92 | B | 7 |
CHEMBL342713 | O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 | CHEMBL3332 | Disintegrin and metalloproteinase domain-containing protein 17 | Sus scrofa | MRQCALFLTSLVPIVLAPRPPDEPGFGSPQRLEKLDSLLSDYDILSLSSIRQHSVRKRDLQASTHLETLLTFSALNRHFKLYLTSSTERFSQNFKVVVVDGEDESEYPVKWQDFFSGHVVGEPDSRVLAHIGDDDITVRINTDGAEYNIEPLWRLINDTKDKRVLVYKSEDIKNVSRLQSPKVCGYIKADNEELLPKGLVDREPPDELVHRVKRRADPNPLRNTCKLLVVADHRFYKYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGERHYNMAKSYPNEEKDAWDVKMLLEQ... | IC50 | 110 | 6.96 | B | 9 |
CHEMBL68920 | Cc1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 | CHEMBL203 | Epidermal growth factor receptor | Homo sapiens | MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEE... | IC50 | 41 | 7.39 | B | 8 |
CHEMBL68920 | Cc1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 | CHEMBL279 | Vascular endothelial growth factor receptor 2 | Homo sapiens | MQSKVLLAVALWLCVETRAASVGLPSVSLDLPRLSIQKDILTIKANTTLQITCRGQRDLDWLWPNNQSGSEQRVEVTECSDGLFCKTLTIPKVIGNDTGAYKCFYRETDLASVIYVYVQDYRSPFIASVSDQHGVVYITENKNKTVVIPCLGSISNLNVSLCARYPEKRFVPDGNRISWDSKKGFTIPSYMISYAGMVFCEAKINDESYQSIMYIVVVVGYRIYDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNST... | IC50 | 16,500 | 4.78 | B | 8 |
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