HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q13133 | NR1H3_HUMAN | Oxysterols receptor LXR-alpha (NR1H3)

3D structures mapped by conservation among orthologs

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

download pymol session



[ Alpha Fold Model ] (go)


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
CHEMBL595012 OBDepict H 3 C CH 3 N N F F F O S O O CH 3 IC50 = 0.8 nM 488.53 CC(C)Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL611735 OBDepict F F F N N O S O O CH 3 IC50 = 0.81 nM 522.55 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL592506 OBDepict F F F N O S O O CH 3 IC50 = 0.92 nM 533.57 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL603636 OBDepict CH 3 H 3 C N N F F F O S O O CH 3 IC50 = 1.0 nM 474.5 CC(C)c1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 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 CHEMBL828112 assay format
CHEMBL384246 OBDepict Cl N HO F F F F F F F F F IC50 = 1.0 nM 465.74 OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL912135 single protein format
CHEMBL595689 OBDepict H 3 C N O F F F S O O H 3 C IC50 = 1.0 nM 457.47 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595224 OBDepict F F F N N O S O O CH 3 IC50 = 1.1 nM 508.52 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(-c4ccccc4)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595782 OBDepict H 3 C N Cl O S O O H 3 C IC50 = 1.1 nM 423.92 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL594062 OBDepict F N N F F F O S O O CH 3 IC50 = 1.2 nM 540.54 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(Cc4ccc(F)cc4)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL606539 OBDepict Cl N O S O O CH 3 IC50 = 1.2 nM 500.02 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL605730 OBDepict F F F N N F F F O S O O CH 3 IC50 = 1.3 nM 500.42 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(C(F)(F)F)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL593472 OBDepict HO S O O O H 3 C N F F F IC50 = 1.4 nM 501.53 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL594063 OBDepict H 3 C H 3 C N N Cl O S O O H 3 C IC50 = 1.5 nM 440.95 CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL593473 OBDepict CH 3 S O O O H 3 C N F F F IC50 = 1.6 nM 471.5 CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL595936 OBDepict H 3 C N N F F F O S O O CH 3 IC50 = 1.7 nM 460.48 CCc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595113 OBDepict H 3 C N O F F F S O O CH 3 H 3 C IC50 = 1.8 nM 485.53 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL594175 OBDepict F O S O O CH 3 H 3 C N F F F IC50 = 1.9 nM 475.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL555373 OBDepict OH CH 3 H 3 C O O O H 3 C H CH 3 OH IC50 = 2.0 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 CHEMBL828112 assay format
CHEMBL215108 OBDepict CH 3 N Cl N CH 3 O HO F F F F F F Cl IC50 = 2.0 nM 527.29 CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912135 single protein format
CHEMBL612007 OBDepict F F F N N N S O S O O CH 3 IC50 = 2.0 nM 533.6 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCSC4)nc4c(C(F)(F)F)cccn34)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL594367 OBDepict H 3 C S O O O N Cl N F F F IC50 = 2.4 nM 480.9 CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595344 OBDepict CH 3 S CH 3 O O O N F F F IC50 = 2.4 nM 471.5 CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL595580 OBDepict H 3 C S O O O CH 3 N F F F IC50 = 2.6 nM 485.53 CCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL594288 OBDepict Cl N O N F F F S O O CH 3 IC50 = 2.7 nM 466.87 CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL593241 OBDepict F F F N O S O O CH 3 IC50 = 2.8 nM 443.45 CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 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 = 3.0 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 CHEMBL3817030 single protein format
CHEMBL594176 OBDepict Cl O S O O CH 3 H 3 C N F F F IC50 = 3.0 nM 491.92 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cc(Cl)cc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1047697 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 CHEMBL912135 single protein format
CHEMBL595804 OBDepict H 3 C O S O O O H 3 C N F F F IC50 = 3.2 nM 515.55 COCCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL611466 OBDepict CH 3 H 3 C N N F F F O S O O CH 3 IC50 = 3.5 nM 474.5 CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL595249 OBDepict H 3 C S O O O N Cl H 3 C N Cl IC50 = 3.5 nM 461.37 CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3c(C)nc4c(Cl)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595454 OBDepict Cl N O H 3 C N Cl S O O H 3 C H 3 C IC50 = 3.6 nM 475.4 Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(C)C)c2)ccc1Cl Homo sapiens CHEMBL1069926 single protein format
CHEMBL606143 OBDepict Cl N O CH 3 N Cl S O O H 3 C IC50 = 3.7 nM 447.34 Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(C)(=O)=O)c2)ccc1Cl Homo sapiens CHEMBL1069926 single protein format
CHEMBL595248 OBDepict Cl N O N F F F S O O H 3 C CH 3 IC50 = 4.0 nM 494.92 CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595011 OBDepict F F F N N O S O O CH 3 IC50 = 4.2 nM 472.49 CS(=O)(=O)c1cccc(Oc2cccc(-n3c(C4CC4)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595455 OBDepict F O S O O CH 3 N Cl H 3 C N Cl IC50 = 4.7 nM 465.33 Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(S(C)(=O)=O)c2)ccc1Cl Homo sapiens CHEMBL1069926 single protein format
CHEMBL1098403 OBDepict CH 3 N F F F S O O H 3 C IC50 = 4.8 nM 455.5 CCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105797 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 CHEMBL912135 single protein format
CHEMBL225936 OBDepict OH O NH N Cl IC50 = 5.0 nM 493.01 O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL593814 OBDepict H 3 C S O O O N H 3 C N Cl IC50 = 5.1 nM 426.93 CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(Cl)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595124 OBDepict F F F N O HO H 3 C CH 3 IC50 = 5.2 nM 513.56 CC(C)(O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1048598 single protein format
CHEMBL594050 OBDepict H 3 C N N F F F O S O O CH 3 H 3 C IC50 = 5.4 nM 474.5 Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL596591 OBDepict Cl N N CH 3 O S O O H 3 C H 3 C IC50 = 5.6 nM 440.95 Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595483 OBDepict H 3 C S O O O N H 3 C N F F F IC50 = 5.7 nM 460.48 CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL386530 OBDepict CH 3 N Cl OH F F F F F F IC50 = 6.0 nM 425.8 CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl Homo sapiens CHEMBL912135 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 = 6.0 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 CHEMBL912135 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 = 6.0 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 CHEMBL912135 single protein format
CHEMBL254539 OBDepict H 3 C O HO O N F F F O IC50 = 6.0 nM 593.6 CC#CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927484 single protein format
CHEMBL611467 OBDepict CH 3 H 3 C H 3 C N N F F F O S O O CH 3 IC50 = 6.5 nM 488.53 CC(C)(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL590098 OBDepict H 3 C O O N O F F F S O O CH 3 IC50 = 6.6 nM 515.51 CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1049546 assay format
CHEMBL606157 OBDepict H 3 C N Cl O OH CH 3 H 3 C IC50 = 6.6 nM 403.91 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(C)(C)O)c2)c1 Homo sapiens CHEMBL1048598 single protein 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 = 7.0 nM 431.49 COc1ncnc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)c1F Homo sapiens CHEMBL3855405 single protein format
CHEMBL1098401 OBDepict F F F N S O O CH 3 IC50 = 7.0 nM 517.57 CS(=O)(=O)c1cccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL226408 OBDepict OH O NH N O F F F IC50 = 7.0 nM 540.54 O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL594757 OBDepict H 3 C N N F F F O S O O CH 3 IC50 = 7.0 nM 446.45 Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL611734 OBDepict F F F N N O S O O CH 3 IC50 = 7.2 nM 508.52 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(-c4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL593471 OBDepict Cl N O S O O CH 3 IC50 = 7.2 nM 409.89 CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(Cl)cccc34)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL594994 OBDepict Cl N N CH 3 O S O O CH 3 IC50 = 7.3 nM 412.9 Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL595917 OBDepict H 3 C NH S O O O N N H 3 C CH 3 Cl IC50 = 7.5 nM 455.97 CNS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(C)C)nc4c(Cl)cccn34)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL217118 OBDepict OH O NH N F F F IC50 = 7.6 nM 526.56 O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907759 single protein format
CHEMBL1096719 OBDepict H 3 C N F F F S O O H 3 C IC50 = 7.6 nM 469.53 CCCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL226461 OBDepict OH O N H N F F F IC50 = 8.0 nM 512.53 O=C(O)Cc1ccc(CNc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL595345 OBDepict CH 3 CH 3 S O O O CH 3 N F F F IC50 = 8.1 nM 499.55 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CC(C)C)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL604582 OBDepict H 3 C N O F F F S O O OH H 3 C H 3 C IC50 = 8.2 nM 529.58 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCC(C)(C)O)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL607090 OBDepict CH 3 O S O O H 3 C O CH 3 N F F F IC50 = 8.2 nM 487.5 COc1ccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O Homo sapiens CHEMBL1047697 single protein format
CHEMBL1097799 OBDepict H 3 C CH 3 N F F F S O O H 3 C IC50 = 8.2 nM 469.53 CC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL225935 OBDepict OH O NH N O Cl IC50 = 9.0 nM 506.99 O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(Cl)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL1094741 OBDepict H 3 C N F F F S O O H 3 C IC50 = 9.0 nM 441.47 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL214719 OBDepict OH O O N F F F IC50 = 9.5 nM 527.54 O=C(O)Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907759 single protein format
CHEMBL1097159 OBDepict H 3 C N F F F F S F O O CH 3 IC50 = 10.0 nM 477.45 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cc(S(C)(=O)=O)c(F)cc2F)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL603956 OBDepict H 3 C H 3 C N N Cl O S O O H 3 C IC50 = 10.0 nM 440.95 CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL1097158 OBDepict H 3 C N F F F S F O O H 3 C IC50 = 10.0 nM 459.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2ccc(F)c(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1105797 single protein format
CHEMBL595118 OBDepict OH O CH 3 N F F F IC50 = 10.2 nM 409.41 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1 Homo sapiens CHEMBL1048598 single protein format
CHEMBL254945 OBDepict OH O CH 3 H 3 C O N F F F IC50 = 11.0 nM 555.6 Cc1cc(CC(=O)O)c(C)cc1COc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1 Homo sapiens CHEMBL927484 single protein format
CHEMBL226049 OBDepict NH 2 O NH N O F F F IC50 = 11.0 nM 539.56 NC(=O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL502579 OBDepict O N O N F F F IC50 = 12.0 nM 552.6 O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCC1 Homo sapiens CHEMBL1036709 assay format
CHEMBL505445 OBDepict H 3 C N O CH 3 O N F F F IC50 = 12.0 nM 554.61 CCN(CC)C(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1036709 assay format
CHEMBL208967 OBDepict CH 3 O O N F F F N CH 3 Cl O OH IC50 = 12.0 nM 484.9 CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(Cl)c2)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870847 single protein format
CHEMBL1098850 OBDepict H 3 C N F F F S H 3 C O O CH 3 IC50 = 12.0 nM 455.5 Cc1ccc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O Homo sapiens CHEMBL1105797 single protein format
CHEMBL596592 OBDepict HO S O O O N H 3 C N F F F IC50 = 13.0 nM 490.5 Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL594174 OBDepict CH 3 CH 3 S O O O CH 3 N F F F IC50 = 13.0 nM 513.58 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCC(C)C)c2)c1 Homo sapiens CHEMBL1047697 single protein format
CHEMBL215042 OBDepict H 3 C O N N F F F F F F HO F F F F F F IC50 = 13.0 nM 580.37 Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL912135 single protein format
CHEMBL594983 OBDepict F O S O O CH 3 N H 3 C N F F F IC50 = 13.0 nM 464.44 Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1069926 single protein format
CHEMBL600244 OBDepict N N O F F F S O O CH 3 IC50 = 13.4 nM 468.46 CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C#N)cnc4c(C(F)(F)F)cccc34)c2)c1 Homo sapiens CHEMBL1049546 assay format
CHEMBL195184 OBDepict OH CH 3 H H 3 C O O H 3 C H CH 3 OH IC50 = 14.0 nM 516.72 CC1(COC(=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 CHEMBL829561 assay format
CHEMBL611465 OBDepict H 3 C N N F F F O S O O CH 3 IC50 = 14.0 nM 460.48 CCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 Homo sapiens CHEMBL1071219 single protein format
CHEMBL450409 OBDepict O N O O N F F F IC50 = 15.0 nM 568.6 O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCOCC1 Homo sapiens CHEMBL1036709 assay format
CHEMBL374804 OBDepict HO O CH 3 NH N O F F F IC50 = 15.2 nM 554.57 CC(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL403958 OBDepict CH 2 O OH O N F F F O IC50 = 16.0 nM 581.59 C=CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927484 single protein format
CHEMBL389859 OBDepict OH O N H H 3 C N F F F IC50 = 16.0 nM 450.46 Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CC(=O)O)cc2)c1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL383728 OBDepict H 3 C O O N F F F N O OH IC50 = 16.0 nM 460.45 CCCc1c(OCCCn2ccc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870847 single protein format
CHEMBL386772 OBDepict OH O O N O F F F IC50 = 16.5 nM 541.53 O=C(O)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL907759 single protein format
CHEMBL605723 OBDepict Cl N O H 3 C N Cl S O O F F F IC50 = 17.0 nM 501.31 Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)ccc1Cl Homo sapiens CHEMBL1069926 single protein format
CHEMBL254333 OBDepict OH O O N F F F O IC50 = 17.0 nM 541.53 O=C(O)Cc1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 Homo sapiens CHEMBL927484 single protein format
CHEMBL225884 OBDepict HO O CH 3 CH 3 NH N O F F F IC50 = 17.2 nM 568.6 CC(C)(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 Homo sapiens CHEMBL905430 cell-based format
CHEMBL207907 OBDepict H 3 C O O N F F F N O OH IC50 = 18.0 nM 474.48 CCCc1c(OCCCn2ccc3cc(CCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870847 single protein format
CHEMBL207019 OBDepict CH 3 O O N F F F N H 3 C O HO IC50 = 18.0 nM 450.46 CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870847 single protein format
CHEMBL387484 OBDepict HO O N H N O CH 3 IC50 = 18.0 nM 486.57 Cc1cccc2c(-c3cccc(NCc4ccc(CC(=O)O)cc4)c3)c(C(=O)c3ccccc3)cnc12 Homo sapiens CHEMBL905430 cell-based format
CHEMBL207690 OBDepict H 3 C O O N F F F N O O HO IC50 = 19.0 nM 476.45 CCCc1c(OCCCN2C(=O)Cc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870847 single protein format