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P06213 | INSR_HUMAN | Insulin receptor (INSR)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // fn3_1 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // fn3 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // UNK_F_TYPE ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Leucine-rich repeats" // Recep_L_domain ]

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[ Domain: "Insulin receptor transmembrane segment" // KOG4258_like ]

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[ Domain: "Growth factor receptor domain" // Furin-like_5 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL514873 OBDepict CH 3 O N H N N N O NH N N H H 3 C CH 3 S O H 2 N IC50 = 0.4 nM 506.59 COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 Homo sapiens CHEMBL1025724 single protein format
CHEMBL515519 OBDepict CH 3 O N H N N N O NH N N H H 3 C CH 3 O O H 2 N IC50 = 0.8 nM 490.52 COc1cc2c(cc1Nc1nc(Nc3ccoc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 Homo sapiens CHEMBL1025724 single protein format
CHEMBL3824326 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl O CH 3 IC50 = 0.88 nM 444.86 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL507625 OBDepict CH 3 O N H N N N N HN N H CH 3 CH 3 O H 2 N F IC50 = 1.6 nM 518.6 COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Homo sapiens CHEMBL1033171 single protein format
CHEMBL575448 OBDepict F N HN O CH 3 N N N N N H N H N IC50 = 1.7 nM 461.51 C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1 Homo sapiens CHEMBL4330203 single protein format
CHEMBL464552 OBDepict CH 3 HN O HN F N N H N N H O N CH 3 O N CH 3 H 3 C IC50 = 1.8 nM 532.58 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12 Homo sapiens CHEMBL1033171 single protein format
CHEMBL3608524 OBDepict CH 3 O N H N N NH N H Cl S O O H 3 C CH 3 IC50 = 2.0 nM 502.04 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNCC2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL4092174 OBDepict CH 3 O N H N N N N H N H Cl S O O H 3 C CH 3 IC50 = 2.1 nM 543.09 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN1CCNCC21 Homo sapiens CHEMBL4017793 single protein format
CHEMBL3824301 OBDepict H 3 C O N H N N N NH N Cl N O CH 3 H 3 C IC50 = 2.16 nM 550.11 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL4071384 OBDepict CH 3 O N H N N N N H N H O Cl S O O H 3 C CH 3 IC50 = 2.2 nM 557.08 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C1CNCC(=O)N1CC2 Homo sapiens CHEMBL4017793 single protein format
CHEMBL4081925 OBDepict CH 3 O N H N N N N H O N H Cl S O O H 3 C CH 3 IC50 = 2.8 nM 557.08 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN1C(=O)CNCC21 Homo sapiens CHEMBL4017793 single protein format
CHEMBL1760035 OBDepict CH 3 O O O H 3 C CH 3 N H N N N H N IC50 = 3.0 nM 403.44 COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC Homo sapiens CHEMBL1764778 single protein format
CHEMBL370967 OBDepict H 3 C N H 3 C S + N H 3 C IC50 = 3.0 nM 295.43 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3824246 OBDepict H 3 C O N H N N N NH N Cl N O NH 2 H 3 C IC50 = 3.4 nM 551.1 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL1086731 OBDepict H 2 N N N N N H N CH 3 N H O S H 3 C H 3 C CH 3 IC50 = 4.0 nM 497.63 Cc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Homo sapiens CHEMBL1113982 cell-based format
CHEMBL1644798 OBDepict O N CH 3 NH N N N H Cl O NH 2 IC50 = 4.0 nM 436.9 CN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)ccc21 Homo sapiens CHEMBL1649021 single protein format
CHEMBL3823256 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl S O O CH 3 IC50 = 4.7 nM 480.91 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL3822475 OBDepict H 3 C O N H N N N N H N Cl S N O O CH 3 H 3 C IC50 = 5.1 nM 586.16 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL3608523 OBDepict CH 3 O N H N N N H N H Cl S O O H 3 C CH 3 IC50 = 5.1 nM 502.04 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CNCCC2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL1945931 OBDepict Cl + N S CH 3 N CH 3 CH 3 IC50 = 5.2 nM 329.88 CN(C)c1ccc(/C=C/c2sc3ccc(Cl)cc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3608522 OBDepict CH 3 O N H NH N N N H Cl S O O H 3 C CH 3 IC50 = 5.2 nM 502.04 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCNC2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL370968 OBDepict H 3 C + N S N CH 3 H 3 C IC50 = 6.0 nM 309.46 CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccccc21 Homo sapiens CHEMBL1947451 single protein format
CHEMBL4099922 OBDepict CH 3 O N H N N N N N N H CH 3 Cl S O O H 3 C CH 3 IC50 = 6.0 nM 556.09 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC1=NN(C)CCN12 Homo sapiens CHEMBL4017793 single protein format
CHEMBL1944955 OBDepict CH 3 S + N H 3 C N H 3 C H 3 C IC50 = 6.0 nM 309.46 Cc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2C Homo sapiens CHEMBL1947451 single protein format
CHEMBL3823016 OBDepict CH 3 O HN N N N N H N Cl N N O CH 3 CH 3 CH 3 IC50 = 6.05 nM 579.15 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)N(C)C)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL513897 OBDepict CH 3 N H 3 C NH N N HN N H O NH 2 IC50 = 6.3 nM 481.6 CCCN1CCC=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(C)c2)C1 Homo sapiens CHEMBL955915 single protein format
CHEMBL1944954 OBDepict CH 3 + N S H 3 C N H 3 C H 3 C IC50 = 7.5 nM 309.46 Cc1ccc2sc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c2c1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL4063965 OBDepict HO N O N CH 3 O CH 3 N H N N HN Cl S O O CH 3 H 3 C IC50 = 7.5 nM 597.1 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCc1nn(C(=O)CO)c(C)c1-2 Homo sapiens CHEMBL4017793 single protein format
CHEMBL1944956 OBDepict CH 3 O S + N H 3 C N H 3 C H 3 C IC50 = 8.0 nM 325.46 COc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2C Homo sapiens CHEMBL1947451 single protein format
CHEMBL1644802 OBDepict CH HN O N H N Cl N NH N CH 3 O IC50 = 8.0 nM 474.95 C#CCNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl Homo sapiens CHEMBL1649021 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 8.5 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL972546 single protein format
CHEMBL3353404 OBDepict CH 2 NH O N N H CH 3 O N N CH 3 N CH 3 CH 3 Cl N N IC50 = 9.0 nM 521.03 C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C Homo sapiens CHEMBL3390234 single protein format
CHEMBL1809044 OBDepict CH 3 O N H N N N N Cl N O H 3 C N IC50 = 9.0 nM 477.96 COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1 Homo sapiens CHEMBL1811058 single protein format
CHEMBL3824304 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl S O O CH 3 H 3 C IC50 = 9.9 nM 508.97 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL2031893 OBDepict CH 3 O O CH 3 O N F N H O CH 3 N O N H 3 C IC50 = 10.0 nM 528.54 COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC Homo sapiens CHEMBL2032467 single protein format
CHEMBL1944953 OBDepict F + N S CH 3 N CH 3 CH 3 IC50 = 10.0 nM 313.42 CN(C)c1ccc(/C=C/c2sc3ccc(F)cc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL2042694 OBDepict CH 3 HN S O O NH N Cl N N H N CH 3 O IC50 = 10.0 nM 486.99 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl Homo sapiens CHEMBL2044753 single protein format
CHEMBL1944960 OBDepict CH 3 O S + N H 3 C N N N H 3 C H 3 C IC50 = 10.0 nM 327.43 COc1ccc2c(c1)sc(/N=N/c1ccc(N(C)C)cc1)[n+]2C Homo sapiens CHEMBL1947451 single protein format
CHEMBL3608521 OBDepict CH 3 O N H N N O NH N H Cl S O O H 3 C CH 3 IC50 = 11.0 nM 516.02 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC(=O)C2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL4101954 OBDepict CH 3 O N H N N N N NH N H Cl S O O H 3 C CH 3 IC50 = 11.0 nM 542.07 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC1=NNCCN12 Homo sapiens CHEMBL4017793 single protein format
CHEMBL1644800 OBDepict CH 3 HN O N H N Cl N N H N CH 3 O IC50 = 11.0 nM 478.98 CCCNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl Homo sapiens CHEMBL1649021 single protein format
CHEMBL1906225 OBDepict H 3 C N CH 3 S + N IC50 = 12.0 nM 371.53 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccccc2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1944957 OBDepict CH 3 N CH 3 S + N CH 3 + N O _ O IC50 = 12.0 nM 340.43 CN(C)c1ccc(/C=C/c2sc3cc([N+](=O)[O-])ccc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1944962 OBDepict CH 3 N CH 3 S + N IC50 = 12.0 nM 321.47 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C2CC2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3608525 OBDepict CH 3 O N H O N N N H N H Cl S O O H 3 C CH 3 IC50 = 12.0 nM 504.01 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CNCCO2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL2042983 OBDepict CH 3 N O O CH 3 N H N N N H Cl S O O H 3 C CH 3 IC50 = 12.0 nM 544.08 CCN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc21 Homo sapiens CHEMBL2044753 single protein format
CHEMBL1946209 OBDepict CH 3 N H 3 C S + N IC50 = 13.0 nM 421.59 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL4084421 OBDepict CH 3 O N H N N N N H N H Cl S O O H 3 C CH 3 IC50 = 14.0 nM 543.09 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C1CNCCN1CC2 Homo sapiens CHEMBL4017793 single protein format
CHEMBL3823268 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl O NH 2 IC50 = 14.1 nM 445.85 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL1091644 OBDepict H 2 N N N N H N CH 3 OH IC50 = 18.0 nM 421.5 C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1 Homo sapiens CHEMBL3266282 single protein format
CHEMBL1822514 OBDepict H 3 C O N N H N N N IC50 = 19.0 nM 413.53 COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1 Homo sapiens CHEMBL1825978 single protein format
CHEMBL1642132 OBDepict CH 3 O N N H N N N H Cl N H O H 3 C IC50 = 20.0 nM 481.0 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl Homo sapiens CHEMBL1648321 single protein format
CHEMBL3353403 OBDepict CH 2 HN O N N H O N N CH 3 H N H 3 C H 3 C Cl N N IC50 = 21.0 nM 533.04 C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC[C@@H](N(C)C)C1 Homo sapiens CHEMBL3390234 single protein format
CHEMBL4083964 OBDepict H 3 C O N H N N N N H 2 N N H Cl S O O CH 3 H 3 C IC50 = 21.0 nM 542.07 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN1C(N)=NCC21 Homo sapiens CHEMBL4017793 single protein format
CHEMBL3608520 OBDepict CH 3 O N H N N O N H N H Cl S O O H 3 C CH 3 IC50 = 21.0 nM 516.02 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)NCCC2 Homo sapiens CHEMBL3610968 single protein format
CHEMBL1644799 OBDepict CH 3 HN O N H N Cl N NH N CH 3 O IC50 = 23.0 nM 450.93 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl Homo sapiens CHEMBL1649021 single protein format
CHEMBL3218861 OBDepict H 3 C N N N N H N N H Br H H H O H 2 N H IC50 = 24.0 nM 522.45 CN1CCN(c2ccc(-c3nc4c(N[C@H]5[C@@H](C(N)=O)[C@@H]6C=C[C@H]5C6)c(Br)cnc4[nH]3)cc2)CC1 Homo sapiens CHEMBL3226252 single protein format
CHEMBL1760057 OBDepict N O N H N N N H N IC50 = 24.0 nM 454.58 c1ccc2ncc(Nc3ccnc(Nc4ccc(OCCCN5CCCCC5)cc4)n3)cc2c1 Homo sapiens CHEMBL1764778 single protein format
CHEMBL458997 OBDepict CH 3 HN O N H N Cl N NH O H 3 C N O IC50 = 25.0 nM 468.95 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl Homo sapiens CHEMBL1648482 single protein format
CHEMBL3608519 OBDepict CH 3 O N H O NH N N N H Cl S O O H 3 C CH 3 IC50 = 25.0 nM 516.02 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCNC2=O Homo sapiens CHEMBL3610968 single protein format
CHEMBL1946211 OBDepict CH 3 O S + N CH 3 N H 3 C CH 3 IC50 = 26.0 nM 375.52 COc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)c3ccccc13)[n+]2C Homo sapiens CHEMBL1947451 single protein format
CHEMBL3823045 OBDepict CH 3 O NH N N N N H N Cl O N CH 3 H 3 C IC50 = 26.0 nM 538.1 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL1870314 OBDepict H 3 C + N S N CH 3 H 3 C IC50 = 27.0 nM 337.51 CCCC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccccc21 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3823235 OBDepict OH N N O N H CH 3 N N HN Cl P O H 3 C CH 3 IC50 = 28.1 nM 531.0 COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL1087127 OBDepict H 2 N N N N HN N H 3 C HN O H 3 C CH 3 IC50 = 29.0 nM 477.57 Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Homo sapiens CHEMBL1113982 cell-based format
CHEMBL1644804 OBDepict CH 3 HN O N H N Cl N NH N H CH 3 H 3 C O IC50 = 30.0 nM 464.96 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl Homo sapiens CHEMBL1649021 single protein format
CHEMBL1944963 OBDepict F + N S N CH 3 H 3 C IC50 = 32.0 nM 389.52 CN(C)c1ccc(/C=C/c2sc3ccc(F)cc3[n+]2Cc2ccccc2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL2042982 OBDepict CH 3 N O O N H CH 3 N N N H Cl S O O H 3 C H 3 C IC50 = 32.0 nM 544.08 CCN1C(=O)CCCc2c1ccc(Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)c2OC Homo sapiens CHEMBL2044753 single protein format
CHEMBL1944967 OBDepict H 3 C N CH 3 S + N IC50 = 34.0 nM 447.63 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL2042828 OBDepict CH 3 N O O CH 3 HN N N N H Cl N H O CH 3 IC50 = 34.0 nM 494.98 CCN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)cc21 Homo sapiens CHEMBL2044753 single protein format
CHEMBL1644801 OBDepict CH 3 N H O HN N Cl N N H N H 3 C O IC50 = 34.0 nM 493.01 CCCCNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl Homo sapiens CHEMBL1649021 single protein format
CHEMBL1822513 OBDepict CH 3 N N N H N N N IC50 = 35.0 nM 384.49 CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2)CC1 Homo sapiens CHEMBL1825978 single protein format
CHEMBL3353405 OBDepict CH 2 N H O N N H O N N H 3 C N CH 3 H 3 C Cl N N IC50 = 35.0 nM 519.01 C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1 Homo sapiens CHEMBL3390234 single protein format
CHEMBL1980995 OBDepict H 3 C NH O O N CH 3 CH 3 N O N H IC50 = 36.35 nM 466.54 CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3707513 single protein format
CHEMBL2042981 OBDepict CH 3 N O O CH 3 N H N N N H Cl S N O O H 3 C CH 3 IC50 = 37.0 nM 545.07 CCN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)cc21 Homo sapiens CHEMBL2044753 single protein format
CHEMBL1946210 OBDepict CH 3 + N S N CH 3 CH 3 IC50 = 40.0 nM 429.65 CCCCCCC[n+]1c(/C=C/c2ccc(N(C)C)c3ccccc23)sc2ccccc21 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1944965 OBDepict CH 3 + N S O CH 3 N H 3 C CH 3 IC50 = 40.0 nM 409.62 CCCCCCC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2cc(OC)ccc21 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1946104 OBDepict CH 3 N CH 3 S + N CH 3 IC50 = 41.0 nM 475.68 CN(C)c1ccc(/C=C/c2sc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3805643 OBDepict F F N HN N H O NH N O HN IC50 = 41.0 nM 546.62 O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(N2CCNCC2)cc1NC1CCOCC1 Homo sapiens CHEMBL3807418 single protein format
CHEMBL1945467 OBDepict H 3 C N CH 3 S + N H 3 C IC50 = 41.0 nM 475.68 CN(C)c1ccc(/C=C/c2sc3ccc(Cc4ccccc4)c(Cc4ccccc4)c3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1944966 OBDepict F + N S N H 3 C CH 3 IC50 = 42.0 nM 389.52 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc(F)cc2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1946212 OBDepict CH 3 N CH 3 N H + S CH 3 IC50 = 42.0 nM 525.74 CN(C)c1ccc(/C=C/c2nc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[s+]2C)c2ccccc12 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1945466 OBDepict H 3 C + N S N IC50 = 42.0 nM 401.6 CCCCCCC[n+]1c(/C=C/c2ccc(-n3cccc3)cc2)sc2ccccc21 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3822499 OBDepict H 3 C O N H N N N NH N Cl N OH CH 3 H 3 C IC50 = 43.2 nM 552.12 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL545839 OBDepict CH 3 HN O NH N Cl N N H N O IC50 = 44.0 nM 438.92 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl Homo sapiens CHEMBL4814459 single protein format
CHEMBL1688361 OBDepict O N N H H N N N N NH 2 F N IC50 = 48.0 nM 522.59 Nc1ncnn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1F)nc2[C@H]1C[C@@H](N2CCN(C=O)CC2)C1 Homo sapiens CHEMBL1695282 cell-based format
CHEMBL3218859 OBDepict CH 3 O N N N H N N H N Cl CH 3 H H H O NH 2 H IC50 = 48.0 nM 522.05 COc1cc(CN2CCN(C)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226252 single protein format
CHEMBL1944964 OBDepict CH 3 S + N N H 3 C H 3 C IC50 = 50.0 nM 385.56 Cc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2Cc1ccccc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL482169 OBDepict O S N O N N H O NH 2 N CH 3 O IC50 = 51.0 nM 475.53 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(C=O)s1)n2CCC(N)=O Homo sapiens CHEMBL1028077 single protein format
CHEMBL564417 OBDepict N N N CH 3 N N H HN O N H OH H Cl IC50 = 51.0 nM 532.05 Cc1cc(N2CCN(CCC#N)CC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4Cl)cc[nH]c3=O)[nH]c12 Homo sapiens CHEMBL1058970 single protein format
CHEMBL1945459 OBDepict H 3 C N CH 3 S + N O IC50 = 52.0 nM 429.61 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCOCc2ccccc2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1945463 OBDepict H 3 C N CH 3 S + N IC50 = 52.0 nM 405.63 CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCC2CCCCC2)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL3218855 OBDepict CH 3 O N N N H N N N H H 3 C Cl H H H O NH 2 H IC50 = 54.0 nM 508.03 COc1cc(N2CCN(C)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226252 single protein format
CHEMBL3822982 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl O H 3 C IC50 = 55.2 nM 432.85 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL3823190 OBDepict H 3 C O N H N N N N H H 3 C Cl P O H 3 C CH 3 IC50 = 57.2 nM 499.98 COc1cc(C2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824711 single protein format
CHEMBL1944961 OBDepict H 3 C N H 3 C N N S + N H 3 C IC50 = 60.0 nM 297.41 CN(C)c1ccc(/N=N/c2sc3ccccc3[n+]2C)cc1 Homo sapiens CHEMBL1947451 single protein format
CHEMBL1642260 OBDepict CH 3 O NH N N N N H Cl N O H 3 C H 3 C O CH 3 IC50 = 62.0 nM 511.03 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3OC)n1)CCN(CC(=O)N(C)C)CC2 Homo sapiens CHEMBL1648482 single protein format
CHEMBL1076433 OBDepict CH 3 N N Cl HN O N H CH 3 N N N N H 2 N IC50 = 63.0 nM 596.14 CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc2Cl)CC1 Homo sapiens CHEMBL1113982 cell-based format
CHEMBL3951811 OBDepict OH N N H O N H CH 3 N N N H Cl N H O CH 3 IC50 = 65.0 nM 580.13 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl Homo sapiens CHEMBL3858240 assay format
CHEMBL3218857 OBDepict CH 3 O N N N H N N H N Cl H H H N O NH 2 H H 3 C IC50 = 68.0 nM 591.16 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226252 single protein format