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P35610 | SOAT1_HUMAN | Sterol O-acyltransferase 1 (SOAT1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4281138 OBDepict H 3 C S NH H 3 C N S O CH 3 N N S N S IC50 = 3.0 nM 519.79 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL3894947 OBDepict O N H O CH 3 CH 3 CH 3 H 3 C IC50 = 4.2 nM 441.62 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL3887315 single protein format
CHEMBL4247249 OBDepict O NH CH 3 CH 3 CH 3 H 3 C S O N IC50 = 7.0 nM 466.69 CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL4282905 OBDepict H 3 C S NH H 3 C N S O CH 3 N N S N O IC50 = 9.0 nM 503.72 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL284596 OBDepict CH 3 O N N CH 3 O O N N H IC50 = 10.0 nM 566.75 COc1ccc(N2CCN(CCCCC3(C)COC(c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)OC3)CC2)cc1 Homo sapiens CHEMBL643993 single protein format
CHEMBL3905226 OBDepict OH O N H O H 3 C CH 3 CH 3 CH 3 IC50 = 10.3 nM 457.61 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1 Homo sapiens CHEMBL3887315 single protein format
CHEMBL449307 OBDepict H 3 C CH 3 H H O O HN O H NH H H 3 C H O N H O H 3 C H H 3 C IC50 = 20.0 nM 563.74 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL2397474 OBDepict CH 3 N HN O CH 3 CH 3 CH 3 H H O O N H O H O CH 3 CH 3 H 3 C H 3 C O IC50 = 32.0 nM 595.87 CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C Homo sapiens CHEMBL2398960 single protein format
CHEMBL459999 OBDepict CH 3 O N H N N H O CH 3 H 3 C H 3 C H 3 C IC50 = 35.0 nM 499.7 COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3)CC2)c1 Homo sapiens CHEMBL1027336 cell-based format
CHEMBL1908306 OBDepict H 3 C S H N H O CH 3 CH 3 CH 3 OH IC50 = 39.0 nM 469.74 CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 Homo sapiens CHEMBL3882635 single protein format
CHEMBL505016 OBDepict H 3 C CH 3 H H O O HN O H NH H H 3 C H O N H O H 3 C H H 3 C IC50 = 40.0 nM 563.74 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL449977 OBDepict CH 3 O N H N N H O CH 3 H 3 C H 3 C H 3 C NH 2 ClH ClH IC50 = 40.0 nM 587.64 COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccccc3)CC2)c1.Cl.Cl Homo sapiens CHEMBL1027336 cell-based format
CHEMBL297271 OBDepict HO H H N H O IC50 = 40.0 nM 419.52 O=C(N[C@@H]1c2ccccc2C[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL643830 single protein format
CHEMBL304267 OBDepict H 3 C N H O H 3 C CH 3 CH 3 H 3 C IC50 = 43.0 nM 487.77 C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C(C)C)cccc1C(C)C Homo sapiens CHEMBL641211 cell-based format
CHEMBL510453 OBDepict CH 3 O N H N N H O O H 3 C CH 3 H 3 C H 3 C H 3 C IC50 = 47.0 nM 529.73 COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3OC)CC2)c1 Homo sapiens CHEMBL1027336 cell-based format
CHEMBL34219 OBDepict H N N O O H 3 C N N N S IC50 = 50.0 nM 543.74 CC1(CCCCN2CCN(c3nccs3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL284378 OBDepict CH 3 N N H 3 C O O N N H IC50 = 50.0 nM 482.63 CN(CCCCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1)c1ccccn1 Homo sapiens CHEMBL643993 single protein format
CHEMBL25532 OBDepict H 3 C O O CH 3 H O CH 3 H O O CH 3 CH 3 O H OH O H 3 C O O N IC50 = 58.0 nM 583.63 CC(=O)OC[C@@]1(C)C2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C3[C@@]2(C)CC[C@@H]1OC(C)=O Homo sapiens CHEMBL639637 single protein format
CHEMBL33054 OBDepict H N N O O H 3 C N IC50 = 60.0 nM 507.68 CC1(CCCCN2CCc3ccccc3C2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL285429 OBDepict CH 3 N N H 3 C H 3 C O O N N H IC50 = 60.0 nM 484.64 Cc1cc(C)n(CCCCCC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 Homo sapiens CHEMBL643995 single protein format
CHEMBL40685 OBDepict O N H N H O O CH 3 H 3 C H 3 C CH 3 H CH 3 H CH 3 IC50 = 63.0 nM 410.56 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)O[C@H](C)[C@@H](C)O1 Homo sapiens CHEMBL642889 tissue-based format
CHEMBL33780 OBDepict H 3 C N N CH 3 S N N H IC50 = 69.0 nM 416.59 Cc1cc(C)n(CCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 Homo sapiens CHEMBL661636 single protein format
CHEMBL33229 OBDepict H N N O O H 3 C N N IC50 = 70.0 nM 536.72 CC1(CCCCN2CCN(c3ccccc3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643995 single protein format
CHEMBL286611 OBDepict H N N O O H 3 C N S IC50 = 70.0 nM 477.67 CC1(CCCCN2CCSCC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL30860 OBDepict CH 3 N N H 3 C H 3 C O O N N H IC50 = 75.0 nM 470.62 Cc1cc(C)n(CCCCC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 Homo sapiens CHEMBL643836 single protein format
CHEMBL286434 OBDepict H N N O O H 3 C N N N N IC50 = 75.0 nM 538.7 CC1(CCCCN2CCN(c3ncccn3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL1258709 OBDepict CH 3 N N O N N O O N CH 3 O IC50 = 77.0 nM 551.65 CCCc1c(-c2nc(Cc3ccccc3)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL2036730 OBDepict OH O H H N H O N O N N H F F IC50 = 80.0 nM 456.45 O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1 Homo sapiens CHEMBL3135999 single protein format
CHEMBL448407 OBDepict H 3 C O N N H N H O H 3 C CH 3 CH 3 H 3 C H 2 N ClH ClH IC50 = 82.0 nM 587.64 COc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2ccccc2)CC1.Cl.Cl Homo sapiens CHEMBL1027336 cell-based format
CHEMBL1258375 OBDepict CH 3 N N O N N O O N CH 3 H 3 C CH 3 CH 3 O IC50 = 83.0 nM 517.63 CCCc1c(-c2nc(C(C)(C)C)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL286836 OBDepict H N N O O H 3 C N N IC50 = 90.0 nM 550.75 CC1(CCCCN2CCN(Cc3ccccc3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643995 single protein format
CHEMBL4291768 OBDepict H 3 C S NH H 3 C N S O CH 3 N N S N O N IC50 = 100.0 nM 504.71 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL33127 OBDepict H N N O O H 3 C N N N IC50 = 105.0 nM 537.71 CC1(CCCCN2CCN(c3ccccn3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL33661 OBDepict CH 3 N N H 3 C + S _ O N N H IC50 = 108.0 nM 432.59 Cc1cc(C)n(CCCCC[S+]([O-])c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 Homo sapiens CHEMBL641209 cell-based format
CHEMBL33464 OBDepict H N N O O H 3 C N N IC50 = 110.0 nM 518.66 CC1(CCCCn2cc(-c3ccccc3)cn2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643995 single protein format
CHEMBL1933478 OBDepict H 3 C CH 3 H H O O HN O H NH H H 3 C H O N H O H 3 C H HO IC50 = 110.0 nM 579.74 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL64237 OBDepict CH 3 N SH CH 3 CH 3 CH 3 H 3 C IC50 = 113.0 nM 403.72 CCCCCCCCCCCCC/C(S)=N/c1c(C(C)C)cccc1C(C)C Homo sapiens CHEMBL641211 cell-based format
CHEMBL286583 OBDepict H N N O O H 3 C N N IC50 = 130.0 nM 492.62 CC1(CCCCn2ncc3ccccc32)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL277986 OBDepict CH 3 N N H O F F H 3 C CH 3 H 3 C IC50 = 140.0 nM 430.58 CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F Homo sapiens CHEMBL699704 microsome format
CHEMBL15611 OBDepict CH 3 N H O IC50 = 140.0 nM 357.58 CCCCCCCC/C=CCCCCCCCC(=O)Nc1ccccc1 Homo sapiens CHEMBL643835 single protein format
CHEMBL4280317 OBDepict O N H N H 3 C CH 3 CH 3 CH 3 N S N S IC50 = 170.0 nM 496.75 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL1257329 OBDepict H 3 C N N O N N O O N N H 3 C CH 3 H 3 C O IC50 = 190.0 nM 504.59 CCCc1c(-c2nc(N(C)C)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL1258708 OBDepict CH 3 O O N N O O N H 3 C Cl O IC50 = 220.0 nM 534.01 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL287013 OBDepict CH 3 N CH 3 O O N N H IC50 = 220.0 nM 495.67 CN(CCCCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1)Cc1ccccc1 Homo sapiens CHEMBL643995 single protein format
CHEMBL1258829 OBDepict CH 3 N N O N N O O N CH 3 O IC50 = 230.0 nM 529.64 CCCc1c(-c2nc(C3CCCC3)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL4283167 OBDepict O N H N H 3 C CH 3 CH 3 H 3 C N CH 3 CH 3 S N O IC50 = 250.0 nM 522.76 CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(C(C)C)c1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL4287597 OBDepict O N H N CH 3 H 3 C H 3 C CH 3 N S N O IC50 = 250.0 nM 494.71 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCCSc2nc3ccccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL1258147 OBDepict H 3 C N N O N N O O N CH 3 H 3 C O IC50 = 260.0 nM 503.6 CCCc1noc(-c2c(C(=O)OCC)c3c(-c4ccccc4)cc(N4CCOCC4)nn3c2CCC)n1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL4294841 OBDepict O N H N H 3 C CH 3 CH 3 CH 3 N S N O IC50 = 260.0 nM 480.68 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL1933480 OBDepict CH 3 CH 3 H H O O HN O H NH H O N O H IC50 = 280.0 nM 587.76 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C2=N[C@H](CO2)C(=O)N[C@H](C2CCCCC2)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL4284218 OBDepict O N H N H 3 C CH 3 CH 3 CH 3 N S N N H IC50 = 280.0 nM 479.69 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL2170736 OBDepict CH 3 H N H H O O O CH 3 OH IC50 = 300.0 nM 381.47 Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(O)cc3)C[C@@H]1O2 Homo sapiens CHEMBL2176154 cell-based format
CHEMBL1257917 OBDepict H 3 C N N O O O O N CH 3 H 3 C O IC50 < 300.0 nM 479.58 CCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL478858 OBDepict CH 3 N NH CH 3 H 3 C O H 3 C H 3 C CH 3 O OH IC50 = 300.0 nM 416.61 CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21 Homo sapiens CHEMBL988272 cell-based format
CHEMBL287233 OBDepict H N N O O H 3 C N O IC50 = 300.0 nM 461.61 CC1(CCCCN2CCOCC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643993 single protein format
CHEMBL284559 OBDepict H N N O O H 3 C O IC50 = 300.0 nM 482.62 CC1(CCCCOCc2ccccc2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL643995 single protein format
CHEMBL1256009 OBDepict CH 3 O O N N O O N H 3 C O IC50 < 300.0 nM 575.67 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL1257918 OBDepict CH 3 N N O O O O N CH 3 H 3 C O IC50 = 300.0 nM 493.6 CCCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL3133014 OBDepict OH O H H O F N H O N O N HN F F F IC50 = 310.0 nM 494.4 O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 Homo sapiens CHEMBL3135999 single protein format
CHEMBL1258600 OBDepict H 3 C O O N N O O N CH 3 Cl O IC50 = 310.0 nM 534.01 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1cccc(Cl)c1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL478015 OBDepict H 3 C N HN CH 3 CH 3 O NH 2 CH 3 CH 3 H 3 C IC50 = 330.0 nM 387.61 CCCCCCCCN1CCc2c(C)c(CN)c(C)c(NC(=O)C(C)(C)C)c21 Homo sapiens CHEMBL988266 cell-based format
CHEMBL291052 OBDepict H 3 C CH 3 N H HN O H 3 C CH 3 O O H H 3 C H H 3 C OH IC50 = 332.0 nM 426.56 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(O)cc2)O[C@H](C)[C@@H](C)O1 Homo sapiens CHEMBL642889 tissue-based format
CHEMBL4277672 OBDepict O N H H CH 3 H 3 C H 3 C CH 3 H S N O IC50 = 370.0 nM 478.7 CC(C)c1cccc(C(C)C)c1NC(=O)CC[C@H]1CCCC[C@H]1CSc1nc2ccccc2o1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL4294442 OBDepict O N H N H 3 C CH 3 CH 3 H 3 C N CH 3 CH 3 S N O N IC50 = 370.0 nM 523.75 CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ncccc4o3)CC2)c(C(C)C)c1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL1257559 OBDepict H 3 C O O N N O O CH 3 N H 3 C F O IC50 = 380.0 nM 483.54 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3cccc(F)c3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL409855 OBDepict CH 3 H 3 C H H O O NH O H HN H CH 3 H O N H O CH 3 H CH 3 IC50 = 410.0 nM 487.64 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL4293342 OBDepict O N H N H 3 C CH 3 CH 3 H 3 C N CH 3 CH 3 S N S IC50 = 410.0 nM 538.83 CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4s3)CC2)c(C(C)C)c1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL286812 OBDepict H N N O O CH 3 CH 3 IC50 = 430.0 nM 334.42 CC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 Homo sapiens CHEMBL885300 assay format
CHEMBL4279691 OBDepict O N H N CH 3 H 3 C H 3 C H 3 C N S N O IC50 = 430.0 nM 508.73 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL2335528 OBDepict CH 3 S O O O O O O CH 3 H 3 C IC50 = 440.0 nM 450.6 CCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O Homo sapiens CHEMBL2341486 cell-based format
CHEMBL3133011 OBDepict H O H O OH N H O N O N NH F F F IC50 = 450.0 nM 476.41 O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1nnc(Nc2cc(F)c(F)cc2F)o1 Homo sapiens CHEMBL3135999 single protein format
CHEMBL4288347 OBDepict CH 3 S HN CH 3 N S O CH 3 N N S N N H ClH IC50 = 450.0 nM 539.2 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1.Cl Homo sapiens CHEMBL4265810 single protein format
CHEMBL4294421 OBDepict O N H N H 3 C CH 3 CH 3 CH 3 N S N O N IC50 = 450.0 nM 481.67 CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL3890942 OBDepict CH 3 S HN CH 3 N S O CH 3 N N S N N H IC50 = 450.0 nM 502.74 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL3882627 single protein format
CHEMBL1258487 OBDepict CH 3 O O N N O O O N CH 3 CH 3 O IC50 = 470.0 nM 529.59 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1cccc(OC)c1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL101309 OBDepict O HN S O O O H 3 C CH 3 CH 3 CH 3 CH 3 H 3 C H 3 C CH 3 CH 3 CH 3 IC50 = 479.0 nM 501.73 CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 Homo sapiens CHEMBL1027336 cell-based format
CHEMBL4291024 OBDepict O N H N CH 3 H 3 C H 3 C CH 3 N CH 3 CH 3 S N N H IC50 = 490.0 nM 521.78 CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4[nH]3)CC2)c(C(C)C)c1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL1257443 OBDepict H 3 C O O N N O O CH 3 N N H 3 C O IC50 = 500.0 nM 466.54 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)nc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL459998 OBDepict CH 3 N N H N H O O H 3 C CH 3 CH 3 CH 3 H 3 C IC50 = 547.0 nM 465.68 CCCN1CCC(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)(c2cccc(OC)c2)CC1 Homo sapiens CHEMBL1027336 cell-based format
CHEMBL1258374 OBDepict H 3 C O O N N O O N CH 3 O IC50 = 550.0 nM 499.57 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1ccccc1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL1258943 OBDepict CH 3 O O N N O O N H 3 C O CH 3 O IC50 = 600.0 nM 529.59 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1ccc(OC)cc1 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL2335539 OBDepict CH 3 S O O IC50 = 600.0 nM 330.49 CCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O Homo sapiens CHEMBL2341486 cell-based format
CHEMBL395857 OBDepict H 3 C H 3 C O O H O O H 3 C CH 3 OH OH IC50 = 600.0 nM 372.42 CC(C)=CC[C@@H](OC(=O)CC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O Homo sapiens CHEMBL885672 cell-based format
CHEMBL513892 OBDepict CH 3 N NH CH 3 H 3 C O H 3 C H 3 C CH 3 IC50 = 640.0 nM 358.57 CCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21 Homo sapiens CHEMBL988266 cell-based format
CHEMBL179229 OBDepict CH 3 O O CH 3 O H 3 C O CH 3 O CH 3 O O O H 3 C OH O N IC50 = 640.0 nM 581.62 CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C3C(=O)C4=C(O)OC(c5cccnc5)C=C4OC3(C)C(OC(C)=O)=CC12 Homo sapiens CHEMBL828068 single protein format
CHEMBL1257442 OBDepict CH 3 O O N O O N CH 3 H 3 C N CH 3 H 3 C IC50 = 660.0 nM 423.51 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N(C)C)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL459791 OBDepict H 3 C O HN N CH 3 N H O CH 3 H 3 C H 3 C CH 3 IC50 = 664.0 nM 437.63 COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(C)CC2)c1 Homo sapiens CHEMBL1027336 cell-based format
CHEMBL1258944 OBDepict CH 3 N N O N N O O N CH 3 O IC50 = 690.0 nM 543.67 CCCc1c(-c2nc(C3CCCCC3)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL1257209 OBDepict CH 3 N N O N N O O N N CH 3 O IC50 = 770.0 nM 530.63 CCCc1c(-c2nc(N3CCCC3)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format
CHEMBL516093 OBDepict H 3 C CH 3 H H O O HN O H NH H O N H H 3 C CH 3 O H H 3 C IC50 = 780.0 nM 487.64 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 Homo sapiens CHEMBL1936449 single protein format
CHEMBL2334100 OBDepict OH O O N N NH O O H 3 C IC50 = 800.0 nM 561.64 Cc1c(C(=O)Nc2ccc(N3CCC(COc4cccc(C(=O)O)c4)CC3)nc2)oc2ccc(-c3ccccc3)cc12 Homo sapiens CHEMBL2343704 single protein format
CHEMBL2170728 OBDepict H 3 C H N H H O O O CH 3 HO IC50 = 800.0 nM 431.53 Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(O)c4ccccc34)C[C@@H]1O2 Homo sapiens CHEMBL2176154 cell-based format
CHEMBL4242494 OBDepict O N H CH 3 H 3 C H 3 C CH 3 S O N N CH 3 H 3 C IC50 = 820.0 nM 467.68 CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(N(C)C)c2o1 Homo sapiens CHEMBL4265765 cell-based format
CHEMBL22373 OBDepict CH 3 H 3 C H 3 C NH O O O H 3 C CH 3 O H 3 C IC50 = 838.0 nM 393.57 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC Homo sapiens CHEMBL641211 cell-based format
CHEMBL3133016 OBDepict OH O H H O F N H O N O N HN F F F IC50 = 860.0 nM 494.4 O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1)c1nnc(Nc2cc(F)c(F)cc2F)o1 Homo sapiens CHEMBL3135999 single protein format
CHEMBL41233 OBDepict O N H H 2 N IC50 = 900.0 nM 406.53 Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL643830 single protein format
CHEMBL1257800 OBDepict H 3 C O O N N O O F F F N CH 3 O IC50 = 920.0 nM 519.52 CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CCC(F)(F)F Homo sapiens CHEMBL1261339 cell-based format
CHEMBL371677 OBDepict H 3 C N NH O F HN F N N IC50 = 940.0 nM 585.74 CCCCCCCN(CCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1)C(=O)Nc1ccc(F)cc1F Homo sapiens CHEMBL864497 cell-based format
CHEMBL4076731 OBDepict F F N H N H O S N N H IC50 = 940.0 nM 506.62 O=C(NCCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(F)cc1F Homo sapiens CHEMBL4049896 single protein format
CHEMBL1257679 OBDepict H 3 C O O N N O O CH 3 N H 3 C O F IC50 = 990.0 nM 483.54 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccc(F)cc3)cc(N3CCOCC3)nn12 Homo sapiens CHEMBL1261339 cell-based format