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P11597 | CETP_HUMAN | Cholesteryl ester transfer protein (CETP)

3D structures mapped by conservation among orthologs

[ Domain: "Aha1/BPI domain-like" // LBP_BPI_CETP ]

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[ Domain: "Aha1/BPI domain-like" // LBP_BPI_CETP_C ]

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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
CHEMBL67129 OBDepict CH 3 Cl O N HO H F F F O F F F F IC50 = 0.77 nM 565.91 CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl Homo sapiens CHEMBL815633 single protein format
CHEMBL2152167 OBDepict O N H N H H N F F F O Cl F F F F IC50 = 1.0 nM 589.94 O=C(N[C@@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL3813720 OBDepict HO HN F F F N F O Cl F F F F IC50 = 1.5 nM 568.89 OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F Homo sapiens CHEMBL3815811 single protein format
CHEMBL3813836 OBDepict F O NH F F F F O OH H F F F F CH 3 H 3 C IC50 = 1.8 nM 595.5 CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@@H](O)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F Homo sapiens CHEMBL3815811 single protein format
CHEMBL2152180 OBDepict O NH NH N F F F F O Cl F F F F IC50 = 2.0 nM 581.89 O=C(NCCC(F)(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL3814418 OBDepict F O NH F F F F O OH H F F F F CH 3 H 3 C IC50 = 2.9 nM 595.5 CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@H](O)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F Homo sapiens CHEMBL3815811 single protein format
CHEMBL2152183 OBDepict O NH NH N F F F F O Cl F F F F IC50 = 3.0 nM 567.86 O=C(NCC(F)(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2152166 OBDepict O NH N H N F F F O Cl F F F F IC50 = 5.0 nM 589.94 O=C(NC1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2152158 OBDepict O NH N H N F F F F F F Cl IC50 = 6.0 nM 541.92 O=C(NC1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2152165 OBDepict O NH N H N F O Cl F F F F IC50 = 6.0 nM 553.96 O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2152170 OBDepict O N H N H N F F F O Cl F F F F IC50 = 7.0 nM 575.91 O=C(NC1CC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2152168 OBDepict O N H N H H N F F F O Cl F F F F IC50 = 7.0 nM 589.94 O=C(N[C@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL4114495 OBDepict F O F N N OH H F F F O F F F IC50 = 7.5 nM 562.46 O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887234 cell-free format
CHEMBL3982660 OBDepict F O F F H N N OH H F F F IC50 = 8.0 nM 500.48 O[C@H](CN1c2ccccc2N(CC2=CCCCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL2152179 OBDepict CH 3 N H NH O N F O Cl F F F F IC50 = 8.0 nM 527.92 CCCNC(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL3814359 OBDepict HO NH F F F N F F F F Cl IC50 = 9.0 nM 520.88 OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F Homo sapiens CHEMBL3815811 single protein format
CHEMBL3679155 OBDepict F O F F F F N NH Cl HO H F F F IC50 = 9.0 nM 568.89 O[C@H](CNCC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F Homo sapiens CHEMBL3705578 single protein format
CHEMBL3683926 OBDepict CH 3 HN OH H O O F F F F F F F F F IC50 = 9.0 nM 581.48 Cc1ccc(CC(CNC[C@@H](O)C(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1 Homo sapiens CHEMBL3705578 single protein format
CHEMBL3894287 OBDepict CH 3 CH 3 N H O H HO H OH O F F F IC50 = 9.0 nM 489.53 CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC1(CC1)[C@H]2O Homo sapiens CHEMBL3887332 cell-based format
CHEMBL2152169 OBDepict O N H N H N F F F O Cl F F F F IC50 = 10.0 nM 561.89 O=C(NC1CC1(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL261502 OBDepict N N O N H O O CH 3 H 3 C Cl IC50 = 10.0 nM 431.88 Cc1c(Cl)ccc(OCC(=O)Nc2ccc(-c3nc4cc(C#N)ccc4o3)cc2)c1C Homo sapiens CHEMBL924743 single protein format
CHEMBL259502 OBDepict N N O N H O O CH 3 Br IC50 = 11.0 nM 462.3 Cc1cc(Br)ccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)ccc3o2)cc1 Homo sapiens CHEMBL924743 single protein format
CHEMBL4109643 OBDepict F F O F F N N OH H F F F IC50 = 11.0 nM 552.49 O[C@H](CN1c2ccccc2N(C2C=Cc3ccccc32)CC1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL3982297 OBDepict H 3 C O F F F H O N CH 3 H 3 C O H OH H HO IC50 = 11.0 nM 519.56 COc1cc([C@H]2OC3(CCOCC3)c3c4c(nc(C(C)C)c32)[C@H](O)C2(CC2)C[C@@H]4O)ccc1C(F)(F)F Homo sapiens CHEMBL3887332 cell-based format
CHEMBL3933248 OBDepict CH 3 O F F F H O N CH 3 CH 3 O H HO IC50 = 11.0 nM 503.56 COc1cc([C@H]2OC3(CCOCC3)c3c4c(nc(C(C)C)c32)CC2(CC2)C[C@@H]4O)ccc1C(F)(F)F Homo sapiens CHEMBL3887332 cell-based format
CHEMBL4109886 OBDepict F F F N N OH H F F F IC50 = 12.0 nM 520.52 O[C@H](CN1c2ccccc2N(C2CCCc3ccccc32)CC1c1cccc(C(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL3908802 OBDepict Cl Cl N H N OH H F F F F F F IC50 = 12.0 nM 549.34 O[C@H](CN1c2ccccc2N(Cc2cc(Cl)cc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL2017388 OBDepict H 3 C H N H N O O N N N CH 3 H 3 C N N CH 3 CH 3 Cl F F F IC50 = 12.0 nM 552.0 CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C Homo sapiens CHEMBL2021090 single protein format
CHEMBL1643160 OBDepict N H 3 C N O N H O N N F F F IC50 = 13.0 nM 519.53 Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)oc12 Homo sapiens CHEMBL1647252 single protein format
CHEMBL3683925 OBDepict F O F F NH O HO H F F F F F F IC50 = 14.0 nM 567.45 O[C@H](CNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3705578 single protein format
CHEMBL602678 OBDepict F HO H N H O O O F F F F F F F IC50 = 14.0 nM 563.44 O[C@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 Homo sapiens CHEMBL1068247 single protein format
CHEMBL4106766 OBDepict F O F N N O OH H F F F F F IC50 = 14.0 nM 544.47 O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887234 cell-free format
CHEMBL3813777 OBDepict F O NH F F F F N OH H Cl F F F IC50 = 14.0 nM 554.87 O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F Homo sapiens CHEMBL3815811 single protein format
CHEMBL425892 OBDepict H 3 C O O O O OH H H 3 C H 3 C CH 3 Cl O H 3 C O H 3 C H 3 C IC50 = 15.0 nM 571.11 CCc1c(C)c(Cl)c2c(c1OC(=O)C1(C)C3CCC1CC3)Oc1ccc([C@@H](O)CC(C)(C)C)c(OC)c1C(=O)O2 Homo sapiens CHEMBL831156 single protein format
CHEMBL1682747 OBDepict N H 3 C N O N H O N N N F F F IC50 = 15.0 nM 520.52 Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12 Homo sapiens CHEMBL1687307 single protein format
CHEMBL259710 OBDepict N N O N H O O Cl IC50 = 15.0 nM 443.89 N#Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c5c4CCC5)cc3)nc2c1 Homo sapiens CHEMBL924743 single protein format
CHEMBL2165719 OBDepict H 3 C O N NH N H O F F F F IC50 = 15.0 nM 501.52 COc1ccc([C@@](Cc2ccccc2)(NC(=O)NC2CCCC2)c2cc(F)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL3971960 OBDepict CH 3 CH 3 N H O H OH O F F F IC50 = 15.0 nM 473.54 CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2 Homo sapiens CHEMBL3887332 cell-based format
CHEMBL2165691 OBDepict O HN N H N F F F F F Cl IC50 = 16.0 nM 523.93 O=C(NC1CCCC1)N[C@@](Cc1ccccc1F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL3924433 OBDepict CH 3 O N N N H 3 C H 3 C N N O O H H 3 C H F F F IC50 = 16.0 nM 527.55 COc1ncc(C(C)C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(F)cc(F)c2)[C@@H]1C Homo sapiens CHEMBL3888562 single protein format
CHEMBL3908168 OBDepict F O F N H N OH H F F F F F F IC50 = 16.0 nM 546.46 O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL1643161 OBDepict N H 3 C N O N H O N N F F F IC50 = 16.0 nM 519.53 Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 Homo sapiens CHEMBL1647252 single protein format
CHEMBL4115182 OBDepict F O F N N HO H F F F F O F F F IC50 = 16.0 nM 580.45 O[C@H](CN1c2ccc(F)cc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887234 cell-free format
CHEMBL1935003 OBDepict CH 3 O F CH 3 H 3 C N CH 3 O O H H 3 C H F F F F F F IC50 = 16.7 nM 583.54 COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C Homo sapiens CHEMBL1937472 single protein format
CHEMBL1081450 OBDepict CH 3 CH 3 N F H H OH F F F IC50 = 17.0 nM 489.6 CC(C)c1nc2c(c(C3CCCCC3)c1[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)C2 Homo sapiens CHEMBL1104194 single protein format
CHEMBL3360279 OBDepict CH 3 CH 3 N H O H 3 C H 3 C H HO O F F F IC50 = 18.0 nM 475.55 CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC(C)(C)C2 Homo sapiens CHEMBL3388804 single protein format
CHEMBL3945816 OBDepict N F F F H O N CH 3 CH 3 O H HO IC50 = 18.0 nM 498.55 CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)c(C#N)c1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2 Homo sapiens CHEMBL3887332 cell-based format
CHEMBL258795 OBDepict N N O N H O O Cl F F F IC50 = 18.0 nM 471.82 N#Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1 Homo sapiens CHEMBL924743 single protein format
CHEMBL259503 OBDepict CH 3 O O Cl CH 3 O N H O N O N IC50 = 18.0 nM 475.89 COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(-c3nc4cc(C#N)ccc4o3)cc2)c1C Homo sapiens CHEMBL924743 single protein format
CHEMBL1643157 OBDepict N H 3 C N O N H O N N Cl IC50 = 19.0 nM 485.98 Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(c5cccc(Cl)c5)CC4)cc3)oc12 Homo sapiens CHEMBL1647252 single protein format
CHEMBL3683923 OBDepict F O F F NH N O HO H F F F F F F IC50 = 19.0 nM 568.44 O[C@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3705578 single protein format
CHEMBL1684870 OBDepict N N CH 3 H 3 C O N H O N N H 3 C CH 3 IC50 = 19.0 nM 597.76 CC(C)c1ccccc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)nc1 Homo sapiens CHEMBL1687307 single protein format
CHEMBL3916464 OBDepict Cl H N N OH H F F F O F F F IC50 = 20.0 nM 530.9 O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccc(Cl)cc1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL3805336 OBDepict H N CH 3 H N F F F OH H F F F F F F IC50 = 20.0 nM 562.48 C[C@H](c1cccc(C(F)(F)F)c1)N1C[C@@H](c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21 Homo sapiens CHEMBL3808209 single protein format
CHEMBL2152162 OBDepict O N H N H N F F F F F F Cl IC50 = 20.0 nM 555.95 O=C(NC1CCCCC1(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL3116159 OBDepict Cl N NH N S F O F F F F IC50 = 20.0 nM 580.02 Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1 Homo sapiens CHEMBL3116906 single protein format
CHEMBL69699 OBDepict HO F F F N O O F F F F CH 3 CH 3 IC50 = 20.0 nM 545.49 CC(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1 Homo sapiens CHEMBL815632 single protein format
CHEMBL303954 OBDepict F F O F F N HO H O F F F IC50 = 20.0 nM 503.41 O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F Homo sapiens CHEMBL665925 single protein format
CHEMBL2152152 OBDepict O NH N H N F F F F Cl IC50 = 20.0 nM 505.94 O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL2017389 OBDepict N N F F F H N N N N N H N CH 3 H 3 C CH 3 O O CH 3 H 3 C IC50 = 21.0 nM 542.57 CC[C@@H]1C[C@H](N(Cc2cc(C#N)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C Homo sapiens CHEMBL2021090 single protein format
CHEMBL3685771 OBDepict CH 3 O H 3 C N O H H N H 3 C N N F F F F F F N N H 3 C IC50 = 21.0 nM 598.59 CCC(C)OC(=O)N1C[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)C[C@H]1CC Homo sapiens CHEMBL3705224 single protein format
CHEMBL1081802 OBDepict F F F F H N H OH IC50 = 22.0 nM 515.64 O[C@H]1CC2(CCC2)Cc2nc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c(C3CCCCC3)c21 Homo sapiens CHEMBL1104194 single protein format
CHEMBL3814646 OBDepict F HN F F F N OH H Cl F F F IC50 = 22.0 nM 506.85 O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F Homo sapiens CHEMBL3815811 single protein format
CHEMBL1684850 OBDepict N N H 3 C CH 3 O N H O N N N F F F IC50 = 22.0 nM 548.57 CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5nccc(C(F)(F)F)n5)CC4)cc3)oc12 Homo sapiens CHEMBL1687307 single protein format
CHEMBL3685781 OBDepict CH 3 H N H N O O N N H 3 C CH 3 F F F F F F N N H 3 C IC50 = 23.0 nM 584.56 CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)OC(C)C Homo sapiens CHEMBL3705224 single protein format
CHEMBL409318 OBDepict O HN O CH 3 N O F CH 3 CH 3 IC50 = 23.0 nM 404.44 Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(F)cc4C)cc3)nc2c1 Homo sapiens CHEMBL924743 single protein format
CHEMBL2165690 OBDepict O HN N H N F F F F Cl H 3 C IC50 = 23.0 nM 519.97 Cc1ccc(C[C@](NC(=O)NC2CCCC2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL1935000 OBDepict N N O O O H H 3 C CH 3 H CH 3 H 3 C F F F F F F F IC50 = 23.3 nM 594.53 COc1cc(F)c(C(C)C)cc1-c1ccc(C#N)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C Homo sapiens CHEMBL1937472 single protein format
CHEMBL1086624 OBDepict F N F H H HO CH 3 CH 3 F F F IC50 = 24.0 nM 501.54 CC(C)c1nc2c(c(-c3ccc(F)cc3)c1[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)C2 Homo sapiens CHEMBL1104194 single protein format
CHEMBL2017391 OBDepict CH 3 H N H N O O N N N CH 3 CH 3 N N H 3 C CH 3 Cl Cl IC50 = 24.0 nM 518.45 CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C Homo sapiens CHEMBL2021090 single protein format
CHEMBL4107916 OBDepict F O F F N N HO H F F F OH H 3 C H 3 C IC50 = 24.0 nM 554.53 CC(C)(O)c1ccc(C2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1 Homo sapiens CHEMBL3887234 cell-free format
CHEMBL1081288 OBDepict CH 3 CH 3 N H HO F H F F F IC50 = 25.0 nM 503.62 CC1(C)Cc2nc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c(C3CCCCC3)c2[C@@H](O)C1 Homo sapiens CHEMBL1104194 single protein format
CHEMBL3683927 OBDepict F F F NH O O F F F F F F IC50 = 25.0 nM 551.45 FC(F)(F)CCNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 Homo sapiens CHEMBL3705578 single protein format
CHEMBL1934996 OBDepict CH 3 O F CH 3 H 3 C N F O O H H 3 C H F F F F F F IC50 = 25.0 nM 587.51 COc1cc(F)c(C(C)C)cc1-c1ccc(F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C Homo sapiens CHEMBL1937472 single protein format
CHEMBL4108875 OBDepict F O F F N N OH H F F F IC50 = 25.0 nM 572.55 O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1ccc(-c2ccccc2)cc1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL2165717 OBDepict O NH N H N F F F F F IC50 = 26.0 nM 489.49 O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL602483 OBDepict F F O F F H N O OH H F F F O F F F IC50 = 26.0 nM 599.42 O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F Homo sapiens CHEMBL1068247 single protein format
CHEMBL2152182 OBDepict H 3 C NH NH O N F O Cl F F F F IC50 = 27.0 nM 513.89 CCNC(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2155542 single protein format
CHEMBL593709 OBDepict N N O HO CH 3 CH 3 N H O O CH 3 IC50 = 28.0 nM 441.49 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C(C)(C)O)c3o2)cc1 Homo sapiens CHEMBL1068107 single protein format
CHEMBL3959235 OBDepict F O F F H N N OH H F F F O IC50 = 29.0 nM 504.47 O[C@H](CN1c2ccccc2N(CC2CCOCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F Homo sapiens CHEMBL3887233 single protein format
CHEMBL3359665 OBDepict H 3 C H 3 C N H O CH 3 CH 3 H OH H 3 C CH 3 H 3 C IC50 = 29.0 nM 447.66 CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(C)(C)C)cc1)OC31CCCC1)[C@@H](O)CC(C)(C)C2 Homo sapiens CHEMBL3388804 single protein format
CHEMBL69563 OBDepict CH 3 Cl O N HO F F F O F F F F IC50 = 30.0 nM 565.91 CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)ccc1Cl Homo sapiens CHEMBL815632 single protein format
CHEMBL237396 OBDepict HO F F F N O O F F F F F F F IC50 = 30.0 nM 585.44 OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(CC(F)(F)F)c2)c1)C(F)(F)F Homo sapiens CHEMBL897706 single protein format
CHEMBL308436 OBDepict HO F F F N O O Cl F F F F Cl IC50 = 30.0 nM 572.3 OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F Homo sapiens CHEMBL815632 single protein format
CHEMBL3679157 OBDepict F F F F N NH F HO H F F F IC50 = 30.0 nM 504.42 O[C@H](CNCC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)C(F)(F)F Homo sapiens CHEMBL3705578 single protein format
CHEMBL302797 OBDepict HO F F F N O O F F F F O F F F IC50 = 30.0 nM 587.41 OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F Homo sapiens CHEMBL815632 single protein format
CHEMBL362080 OBDepict H 3 C O O O O OH H H 3 C H 3 C CH 3 Cl O H 3 C CH 3 O H 3 C IC50 = 30.0 nM 557.08 COc1c([C@@H](O)CC(C)(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(C)c(OC(=O)C3(C)C4CCC3CC4)c1O2 Homo sapiens CHEMBL831156 single protein format
CHEMBL1081287 OBDepict CH 3 CH 3 N F H H 3 C H 3 C H HO F F F IC50 = 30.0 nM 477.59 CC(C)c1nc2c(c(C3CCCCC3)c1[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC(C)(C)C2 Homo sapiens CHEMBL1104194 single protein format
CHEMBL363716 OBDepict H 3 C O O O O OH H CH 3 H 3 C Cl O H 3 C CH 3 O H 3 C IC50 = 30.0 nM 543.06 COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(C)c(OC(=O)C3(C)C4CCC3CC4)c1O2 Homo sapiens CHEMBL831156 single protein format
CHEMBL71333 OBDepict F O N OH F F F O F F F F IC50 = 30.0 nM 521.4 OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F Homo sapiens CHEMBL815632 single protein format
CHEMBL2017390 OBDepict H 3 C H N H N O O N N N CH 3 H 3 C N N CH 3 CH 3 F F F F IC50 = 30.0 nM 535.55 CC[C@@H]1C[C@H](N(Cc2cc(F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C Homo sapiens CHEMBL2021090 single protein format
CHEMBL2165706 OBDepict O NH N H N F F F F Cl IC50 = 31.0 nM 505.94 O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL1086623 OBDepict F N F H H HO CH 3 CH 3 F F F IC50 = 31.0 nM 515.57 CC1(C)Cc2nc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2[C@@H](O)C1 Homo sapiens CHEMBL1104194 single protein format
CHEMBL261062 OBDepict O HN O CH 3 N O Br CH 3 CH 3 IC50 = 31.0 nM 465.35 Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(Br)cc4C)cc3)nc2c1 Homo sapiens CHEMBL924743 single protein format
CHEMBL2165718 OBDepict O NH N H N F F F F Cl IC50 = 31.0 nM 505.94 O=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccc(Cl)nc1)c1cc(F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL2165680 OBDepict O NH N H N O Cl F F F IC50 = 31.0 nM 503.95 O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1ccc(Cl)cn1 Homo sapiens CHEMBL2168001 single protein format
CHEMBL1934995 OBDepict CH 3 O F CH 3 CH 3 N O O H CH 3 H F F F F F F IC50 = 31.21 nM 569.52 COc1cc(F)c(C(C)C)cc1-c1ccccc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C Homo sapiens CHEMBL1937472 single protein format
CHEMBL479339 OBDepict OH F F F N O F F F F O F F F IC50 = 33.0 nM 597.45 OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F Homo sapiens CHEMBL1010541 cell-free format
CHEMBL1086637 OBDepict CH 3 CH 3 N O H OH F F F IC50 = 33.0 nM 485.59 CC(C)c1nc2c(c(C3CCCCC3)c1C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)C2 Homo sapiens CHEMBL1104194 single protein format
CHEMBL3685780 OBDepict CH 3 H N H N O O N N H 3 C CH 3 F F F F F F N N H IC50 = 34.0 nM 570.54 CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cn[nH]c3)cn2)CN1C(=O)OC(C)C Homo sapiens CHEMBL3705224 single protein format