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P55055 | NR1H2_HUMAN | Oxysterols receptor LXR-beta (NR1H2)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

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Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3814006 OBDepict HO S O O H 3 C S N S O O F F F IC50 = 0.6 nM 595.69 CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3C(F)(F)F)s2)ccc1CO Homo sapiens CHEMBL3817516 single protein format
CHEMBL3814501 OBDepict Cl N N F F F N H N H 3 C CH 3 S F O O CH 3 Ki = 1.0 nM 480.92 CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Cl)c(C(F)(F)F)n1 Homo sapiens CHEMBL3817031 single protein format
CHEMBL3814153 OBDepict F S O O H 3 C N N H H 3 C CH 3 N N F F F Ki = 1.0 nM 446.47 CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1 Homo sapiens CHEMBL3817031 single protein format
CHEMBL555373 OBDepict OH CH 3 H 3 C O O O H 3 C H CH 3 OH IC50 = 1.0 nM 530.71 CC1(C(=O)OC(=O)C2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCCC2(C)c3cc(O)ccc3CCC12 Homo sapiens CHEMBL832985 assay format
CHEMBL3905741 OBDepict H 3 C O N F N N H CH 3 H 3 C N N S O O H 3 C Ki = 1.0 nM 431.49 COc1ncnc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)c1F Homo sapiens CHEMBL3855406 single protein format
CHEMBL365544 OBDepict HO H 3 C H CH 3 N H O O CH 3 H CH 3 OH IC50 = 1.0 nM 529.72 CC1(C(=O)NC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 Homo sapiens CHEMBL832985 assay format
CHEMBL4756418 OBDepict OH S O O CH 3 H N O O O N H H 3 C H 3 C CH 3 Ki = 1.0 nM 548.66 CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL4686884 assay format
CHEMBL3814006 OBDepict HO S O O H 3 C S N S O O F F F Ki = 1.3 nM 595.69 CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3C(F)(F)F)s2)ccc1CO Homo sapiens CHEMBL3817031 single protein format
CHEMBL225936 OBDepict OH O NH N Cl IC50 = 1.4 nM 493.01 O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL226049 OBDepict NH 2 O NH N O F F F IC50 = 1.4 nM 539.56 NC(=O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL1098401 OBDepict F F F N S O O CH 3 IC50 = 1.5 nM 517.57 CS(=O)(=O)c1cccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL1097158 OBDepict H 3 C N F F F S F O O H 3 C IC50 = 1.7 nM 459.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2ccc(F)c(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL1094741 OBDepict H 3 C N F F F S O O H 3 C IC50 = 1.8 nM 441.47 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL217118 OBDepict OH O NH N F F F IC50 = 1.9 nM 526.56 O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907758 single protein format
CHEMBL450409 OBDepict O N O O N F F F IC50 = 1.9 nM 568.6 O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCOCC1 Homo sapiens CHEMBL1036708 assay format
CHEMBL592506 OBDepict F F F N O S O O CH 3 IC50 = 2.0 nM 533.57 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL590098 OBDepict H 3 C O O N O F F F S O O CH 3 IC50 = 2.0 nM 515.51 CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1049545 assay format
CHEMBL254539 OBDepict H 3 C O HO O N F F F O IC50 = 2.0 nM 593.6 CC#CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927483 single protein format
CHEMBL404469 OBDepict OH O N H N F F F IC50 = 2.0 nM 576.62 O=C(O)Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c2ccccc12 Homo sapiens CHEMBL927483 single protein format
CHEMBL403418 OBDepict OH O CH 3 CH 3 HN N F F F IC50 = 2.0 nM 554.61 Cc1cc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)cc1CC(=O)O Homo sapiens CHEMBL927483 single protein format
CHEMBL215036 OBDepict CH 3 N Cl N S OH F F F F F F IC50 = 2.0 nM 418.79 CCN(Cc1cscn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912144 single protein format
CHEMBL3673675 OBDepict HO S N O O CH 3 N H N H 3 C H 3 C N N F F F OH H 3 C H 3 C Ki = 2.0 nM 527.57 CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1 Homo sapiens CHEMBL3707495 single protein format
CHEMBL595118 OBDepict OH O CH 3 N F F F IC50 = 2.1 nM 409.41 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1 Homo sapiens CHEMBL1048597 single protein format
CHEMBL214719 OBDepict OH O O N F F F IC50 = 2.1 nM 527.54 O=C(O)Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907758 single protein format
CHEMBL600244 OBDepict N N O F F F S O O CH 3 IC50 = 2.2 nM 468.46 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C#N)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1049545 assay format
CHEMBL59030 OBDepict OH O O N Cl F F F Ki = 2.2 nM 582.06 O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 Homo sapiens CHEMBL4360509 assay format
CHEMBL595689 OBDepict H 3 C N O F F F S O O H 3 C IC50 = 2.4 nM 457.47 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069927 single protein format
CHEMBL226408 OBDepict OH O NH N O F F F IC50 = 2.4 nM 540.54 O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL1098403 OBDepict CH 3 N F F F S O O H 3 C IC50 = 2.4 nM 455.5 CCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL606157 OBDepict H 3 C N Cl O OH CH 3 H 3 C IC50 = 2.5 nM 403.91 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(C)(C)O)c2)c1 Homo sapiens CHEMBL1048597 single protein format
CHEMBL594062 OBDepict F N N F F F O S O O CH 3 IC50 = 2.6 nM 540.54 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(Cc4ccc(F)cc4)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069927 single protein format
CHEMBL1097160 OBDepict F S O O CH 3 N F F F IC50 = 2.6 nM 445.44 CS(=O)(=O)c1cc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)ccc1F Homo sapiens CHEMBL1105796 single protein format
CHEMBL374804 OBDepict HO O CH 3 NH N O F F F IC50 = 2.6 nM 554.57 CC(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL502579 OBDepict O N O N F F F IC50 = 2.6 nM 552.6 O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCC1 Homo sapiens CHEMBL1036708 assay format
CHEMBL225935 OBDepict OH O NH N O Cl IC50 = 2.7 nM 506.99 O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(Cl)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL505445 OBDepict H 3 C N O CH 3 O N F F F IC50 = 2.8 nM 554.61 CCN(CC)C(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1036708 assay format
CHEMBL454596 OBDepict O N O N F F F IC50 = 2.9 nM 566.62 O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCCC1 Homo sapiens CHEMBL1036708 assay format
CHEMBL386530 OBDepict CH 3 N Cl OH F F F F F F IC50 = 3.0 nM 425.8 CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912144 single protein format
CHEMBL214867 OBDepict H 3 C N N H 3 C O OH F F F F F F F F F IC50 = 3.0 nM 526.4 CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL912144 single protein format
CHEMBL516464 OBDepict CH 3 N Cl O N O IC50 = 3.0 nM 442.95 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCC3)c2)c1 Homo sapiens CHEMBL1036708 assay format
CHEMBL384246 OBDepict Cl N HO F F F F F F F F F IC50 = 3.0 nM 465.74 OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL912144 single protein format
CHEMBL215663 OBDepict H 3 C N Cl HO F F F F F F IC50 = 3.0 nM 411.77 CCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912144 single protein format
CHEMBL254945 OBDepict OH O CH 3 H 3 C O N F F F IC50 = 3.0 nM 555.6 Cc1cc(CC(=O)O)c(C)cc1COc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1 Homo sapiens CHEMBL927483 single protein format
CHEMBL3814206 OBDepict OH N N F F F N H N H 3 C CH 3 S O O CH 3 OH Ki = 3.0 nM 488.53 CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1 Homo sapiens CHEMBL3817031 single protein format
CHEMBL3985591 OBDepict H 3 C N N N F F F H CH 3 H 3 C N N S O O H 3 C Ki = 3.0 nM 465.5 Cc1nc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL1098850 OBDepict H 3 C N F F F S H 3 C O O CH 3 IC50 = 3.2 nM 455.5 Cc1ccc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O Homo sapiens CHEMBL1105796 single protein format
CHEMBL595012 OBDepict H 3 C CH 3 N N F F F O S O O CH 3 IC50 = 3.2 nM 488.53 CC(C)Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069927 single protein format
CHEMBL595124 OBDepict F F F N O HO H 3 C CH 3 IC50 = 3.3 nM 513.56 CC(C)(O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1048597 single protein format
CHEMBL606539 OBDepict Cl N O S O O CH 3 IC50 = 3.3 nM 500.02 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL1097159 OBDepict H 3 C N F F F F S F O O CH 3 IC50 = 3.3 nM 477.45 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cc(S(C)(=O)=O)c(F)cc2F)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL595782 OBDepict H 3 C N Cl O S O O H 3 C IC50 = 3.4 nM 423.92 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL226461 OBDepict OH O N H N F F F IC50 = 3.7 nM 512.53 O=C(O)Cc1ccc(CNc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL1096719 OBDepict H 3 C N F F F S O O H 3 C IC50 = 3.8 nM 469.53 CCCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL225884 OBDepict HO O CH 3 CH 3 NH N O F F F IC50 = 3.8 nM 568.6 CC(C)(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL3672848 OBDepict HO S O O CH 3 N H N CH 3 H 3 C N N F F F Ki = 4.0 nM 468.5 CC(C)[C@@H]1c2cc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 Homo sapiens CHEMBL3708015 single protein format
CHEMBL3815014 OBDepict H 3 C CH 3 H N N N N S F F F O O CH 3 Ki = 4.0 nM 428.48 CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1 Homo sapiens CHEMBL3817031 single protein format
CHEMBL595344 OBDepict CH 3 S CH 3 O O O N F F F IC50 = 4.0 nM 471.5 CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL215108 OBDepict CH 3 N Cl N CH 3 O HO F F F F F F Cl IC50 = 4.0 nM 527.29 CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912144 single protein format
CHEMBL404468 OBDepict OH O CH 3 CH 3 O N F F F IC50 = 4.0 nM 555.6 Cc1cc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)cc1CC(=O)O Homo sapiens CHEMBL927483 single protein format
CHEMBL253521 OBDepict OH O CH 3 H 3 C HN N F F F IC50 = 4.0 nM 554.61 Cc1c(CC(=O)O)ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1C Homo sapiens CHEMBL927483 single protein format
CHEMBL3914727 OBDepict H 3 C O N CH 3 N N H CH 3 H 3 C N N S O O H 3 C Ki = 4.0 nM 427.53 COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)nc(C)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL1097799 OBDepict H 3 C CH 3 N F F F S O O H 3 C IC50 = 4.1 nM 469.53 CC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL389859 OBDepict OH O N H H 3 C N F F F IC50 = 4.3 nM 450.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CC(=O)O)cc2)c1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL1095714 OBDepict F F F N S O O CH 3 IC50 = 4.4 nM 427.45 CS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL593472 OBDepict HO S O O O H 3 C N F F F IC50 = 4.7 nM 501.53 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL595224 OBDepict F F F N N O S O O CH 3 IC50 = 4.7 nM 508.52 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(-c4ccccc4)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069927 single protein format
CHEMBL1097140 OBDepict F F S O O CH 3 N F F F IC50 = 4.9 nM 463.43 CS(=O)(=O)c1cc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c(F)cc1F Homo sapiens CHEMBL1105796 single protein format
CHEMBL3940521 OBDepict H 3 C O N N H N CH 3 CH 3 H 3 C N S O O H 3 C Ki = 5.0 nM 426.54 COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)(C)C)ccn1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3673709 OBDepict H 3 C O O N N F F F N N CH 3 H 3 C N S O O H 3 C OH Ki = 5.0 nM 541.55 CCOC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F Homo sapiens CHEMBL3707495 single protein format
CHEMBL253311 OBDepict OH O N H N F F F IC50 = 5.0 nM 576.62 O=C(O)Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12 Homo sapiens CHEMBL927483 single protein format
CHEMBL593739 OBDepict NH 2 O N O F F F S O O H 3 C CH 3 IC50 = 5.0 nM 514.53 CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1049545 assay format
CHEMBL386772 OBDepict OH O O N O F F F IC50 = 5.0 nM 541.53 O=C(O)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907758 single protein format
CHEMBL254333 OBDepict OH O O N F F F O IC50 = 5.0 nM 541.53 O=C(O)Cc1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927483 single protein format
CHEMBL225828 OBDepict OH O N H N CH 3 IC50 = 5.0 nM 472.59 Cc1cccc2c(-c3cccc(NCc4ccc(CC(=O)O)cc4)c3)c(Cc3ccccc3)cnc12 Homo sapiens CHEMBL905429 cell-based format
CHEMBL403958 OBDepict CH 2 O OH O N F F F O IC50 = 5.0 nM 581.59 C=CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927483 single protein format
CHEMBL215789 OBDepict CH 3 N N CH 3 O HO F F F F F F Cl IC50 = 5.0 nM 492.85 CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL912144 single protein format
CHEMBL605730 OBDepict F F F N N F F F O S O O CH 3 IC50 = 5.1 nM 500.42 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(C(F)(F)F)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069927 single protein format
CHEMBL1098832 OBDepict CH 3 S O O CH 3 N F F F IC50 = 5.2 nM 455.5 CCS(=O)(=O)c1cccc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1105796 single protein format
CHEMBL226096 OBDepict HO NH N O F F F IC50 = 5.4 nM 526.56 O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CCO)cc2)c1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL387484 OBDepict HO O N H N O CH 3 IC50 = 5.5 nM 486.57 Cc1cccc2c(-c3cccc(NCc4ccc(CC(=O)O)cc4)c3)c(C(=O)c3ccccc3)cnc12 Homo sapiens CHEMBL905429 cell-based format
CHEMBL611735 OBDepict F F F N N O S O O CH 3 IC50 = 5.9 nM 522.55 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1 Homo sapiens CHEMBL1071220 single protein format
CHEMBL3976470 OBDepict H 3 C O N CH 3 N H CH 3 H 3 C N N S O O H 3 C Ki = 6.0 nM 426.54 COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)cc(C)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3932169 OBDepict OH N N F F F N H CH 3 H 3 C N N S O O CH 3 Ki = 6.0 nM 481.5 CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3978980 OBDepict OH N N F F F N H CH 3 H 3 C N N S O O CH 3 HO Ki = 6.0 nM 511.53 CC(C)[C@@H]1c2nn(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3673684 OBDepict H 3 C O O N N F F F N H N CH 3 H 3 C N S O O H 3 C OH Ki = 6.0 nM 541.55 CCOC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F Homo sapiens CHEMBL3707495 single protein format
CHEMBL3673706 OBDepict OH N N F F F N H N H 3 C CH 3 N S O O H 3 C Ki = 6.0 nM 469.49 CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1 Homo sapiens CHEMBL3707495 single protein format
CHEMBL225937 OBDepict OH O N H N O F F F IC50 = 6.0 nM 540.54 O=C(O)Cc1cccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL905429 cell-based format
CHEMBL207907 OBDepict H 3 C O O N F F F N O OH IC50 = 6.0 nM 474.48 CCCc1c(OCCCn2ccc3cc(CCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870849 single protein format
CHEMBL460197 OBDepict O N O CH 3 N Cl IC50 = 6.0 nM 456.97 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCCC3)c2)c1 Homo sapiens CHEMBL1036708 assay format
CHEMBL593473 OBDepict CH 3 S O O O H 3 C N F F F IC50 = 6.1 nM 471.5 CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL594175 OBDepict F O S O O CH 3 H 3 C N F F F IC50 = 6.6 nM 475.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1047698 single protein format
CHEMBL3673682 OBDepict CH 3 HO N N F F F N H N CH 3 H 3 C N S O O H 3 C OH Ki = 7.0 nM 527.57 CCC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F Homo sapiens CHEMBL3707495 single protein format
CHEMBL3959681 OBDepict H 3 C CH 3 H N N N N N F F F S O O CH 3 Ki = 7.0 nM 451.47 CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1nccc(C(F)(F)F)n1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3960195 OBDepict H 3 C CH 3 H N N N N N F F F S O O CH 3 Ki = 7.0 nM 451.47 CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1cc(C(F)(F)F)ncn1 Homo sapiens CHEMBL3855406 single protein format
CHEMBL3673708 OBDepict HO S N O O H 3 C N N CH 3 H 3 C N N F F F O CH 3 Ki = 7.0 nM 511.53 CC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F Homo sapiens CHEMBL3707495 single protein format
CHEMBL269442 OBDepict H 3 C N Cl O OH F F F F F F O OH IC50 = 7.0 nM 589.96 CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)C(COc1ccc(CCC(=O)O)cc1)c1ccccc1 Homo sapiens CHEMBL912144 single protein format
CHEMBL383944 OBDepict H 3 C N Cl N H 3 C O OH F F F F F F F F F IC50 = 7.0 nM 560.84 CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912144 single protein format
CHEMBL460198 OBDepict O N O O CH 3 N Cl IC50 = 7.0 nM 458.95 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCOCC3)c2)c1 Homo sapiens CHEMBL1036708 assay format
CHEMBL216645 OBDepict OH O HN N F F F IC50 = 7.0 nM 526.56 O=C(O)Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907758 single protein format
CHEMBL4764328 OBDepict OH S O O CH 3 H N O O N H H 3 C H 3 C CH 3 Ki = 7.3 nM 546.69 CC(C)(C)CC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL4686884 assay format