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P10828 | THB_HUMAN | Thyroid hormone receptor beta (THRB)

3D structures mapped by conservation among orthologs

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

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[ Domain: "LIM domain-like" // zf-C4 ]

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[ 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
CHEMBL124126 OBDepict Cl O N Cl N O N H S O OH N O O Ki = 0.02 nM 513.36 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL289343 OBDepict OH O Br Br O HO H 3 C CH 3 IC50 = 0.025 nM 458.15 CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL125381 OBDepict CH 3 O N CH 3 N O N H O OH H 3 C CH 3 Ki = 0.03 nM 367.41 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL811900 single protein format
CHEMBL3397339 OBDepict OH O O Cl N H 3 C HO CH 3 H 3 C Ki = 0.04 nM 387.86 Cc1cc2cc(OCC(=O)O)cc(Cl)c2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL124205 OBDepict Cl O N Cl N O N H O OH NH O H 3 C H 3 C Ki = 0.04 nM 531.4 CC1(C)C2CCC(NC(=O)c3cc(Oc4c(Cl)cc(-n5ncc(=O)[nH]c5=O)cc4Cl)ccc3O)C1C2 Homo sapiens CHEMBL811900 single protein format
CHEMBL203777 OBDepict Cl O N Cl H O HO OH CH 3 CH 3 IC50 = 0.06 nM 380.23 CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc3c2Cl)ccc1O Homo sapiens CHEMBL866542 single protein format
CHEMBL203777 OBDepict Cl O N Cl H O HO OH CH 3 CH 3 Ki = 0.06 nM 380.23 CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc3c2Cl)ccc1O Homo sapiens CHEMBL2212125 single protein format
CHEMBL413699 OBDepict Cl O N Cl N O N H O HO HN O Ki = 0.07 nM 491.33 O=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O Homo sapiens CHEMBL811900 single protein format
CHEMBL3397337 OBDepict OH O O Cl N OH CH 3 CH 3 Ki = 0.07 nM 373.84 CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)cc(Cl)c32)ccc1O Homo sapiens CHEMBL3399151 cell-based format
CHEMBL4114879 OBDepict OH CH 3 O N H H 3 C O O N H 3 C O N H H F Cl IC50 = 0.09 nM 505.97 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL3397341 OBDepict OH O O Cl N CH 3 HO CH 3 H 3 C Ki = 0.09 nM 387.86 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(Cl)cc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL39174 OBDepict OH O Br Br O HO H 3 C CH 3 IC50 = 0.095 nM 444.12 CC(C)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL126693 OBDepict Cl O N Cl N O N H S O OH N H O O Ki = 0.1 nM 521.34 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)Nc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL41314 OBDepict OH O H 2 N H I I O OH CH 3 CH 3 IC50 = 0.11 nM 567.16 CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(=O)O)cc2I)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL125728 OBDepict CH 3 O N Cl N O N H S O OH N O O Ki = 0.13 nM 492.94 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1 Homo sapiens CHEMBL811900 single protein format
CHEMBL3397338 OBDepict OH O O H 3 C N H 3 C HO CH 3 H 3 C Ki = 0.14 nM 367.45 Cc1cc(OCC(=O)O)cc2cc(C)n(Cc3ccc(O)c(C(C)C)c3)c12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL418432 OBDepict OH O Cl Cl O HO H 3 C CH 3 IC50 = 0.15 nM 369.24 CC(C)c1cc(Oc2c(Cl)cc(CCC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL3397340 OBDepict OH O O H 3 C N CH 3 HO CH 3 H 3 C Ki = 0.18 nM 367.45 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL123920 OBDepict Cl O N Cl N O N H S O OH N O O Ki = 0.23 nM 545.36 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)n4ccc5ccccc54)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL3397336 OBDepict OH O O H 3 C N HO CH 3 H 3 C Ki = 0.26 nM 353.42 Cc1cc(OCC(=O)O)cc2ccn(Cc3ccc(O)c(C(C)C)c3)c12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL4761137 OBDepict OH N OH O CH 3 O N H 3 C O N H Cl IC50 = 0.27 nM 473.96 COc1cc(C(=O)N2CC(C)C(O)CC2CCO)cc2nc(NCc3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL236289 OBDepict O HN H O HO H 3 C CH 3 Br Br O OH CH 3 CH 3 IC50 = 0.27 nM 543.25 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL125946 OBDepict Cl O N Cl N O N H S O OH N O O O Ki = 0.28 nM 595.46 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4C5CCC4CC4(CCCO4)C5)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL425939 OBDepict Br O N Br H O HO OH CH 3 CH 3 IC50 = 0.28 nM 469.13 CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)O)cc3c2Br)ccc1O Homo sapiens CHEMBL866542 single protein format
CHEMBL4114862 OBDepict F N H H O N Cl O H 3 C N O CH 3 O HO IC50 = 0.3 nM 517.99 COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL198367 OBDepict HO O NH O Cl Cl Br HO IC50 = 0.3 nM 455.09 O=C(O)C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL882591 single protein format
CHEMBL196642 OBDepict CH 3 O H 3 C CH 3 Cl Cl N H O O OH IC50 = 0.3 nM 446.33 COc1ccc2c(-c3c(Cl)cc(NC(=O)CC(=O)O)cc3Cl)cccc2c1C(C)C Homo sapiens CHEMBL882591 single protein format
CHEMBL3397342 OBDepict OH O O N CH 3 HO H 3 C H 3 C CH 3 Ki = 0.3 nM 367.45 Cc1cn(Cc2ccc(O)c(C(C)(C)C)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL194242 OBDepict O N H O OH Cl Cl Br HO IC50 = 0.3 nM 469.12 O=C(O)CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL882591 single protein format
CHEMBL125317 OBDepict Cl O N Cl N O N H S O OH N O O O O Ki = 0.31 nM 597.43 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4C5CCC4CC4(C5)OCCO4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL107400 OBDepict OH O O H 3 C CH 3 HO CH 3 H 3 C Ki = 0.32 nM 328.41 Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949480 single protein format
CHEMBL338602 OBDepict Cl O N Cl N O N H O OH N O Ki = 0.37 nM 489.32 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CC2CCC1C2 Homo sapiens CHEMBL811900 single protein format
CHEMBL41036 OBDepict OH O Cl Cl O HO H 3 C CH 3 Ki = 0.37 nM 355.22 CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL969513 cell-based format
CHEMBL3397335 OBDepict OH O O N CH 3 HO CH 3 H 3 C Ki = 0.38 nM 353.42 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL4749829 OBDepict OH CH 3 O N H O CH 3 O N H 3 C O N H H 3 C H Cl IC50 = 0.4 nM 502.01 CC[C@@H]1CO[C@@](C)(CCO)CN1C(=O)c1cc(OC)c2oc(N[C@H](C)c3cccc(Cl)c3)nc2c1 Homo sapiens CHEMBL4672669 single protein format
CHEMBL594025 OBDepict F OH O CH 3 CH 3 N N O N H O Ki = 0.4 nM 433.44 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1 Homo sapiens CHEMBL1068514 single protein format
CHEMBL124039 OBDepict Cl O N Cl N O N H S O OH HN O O Ki = 0.4 nM 499.33 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL2035874 OBDepict O N H O HO Br Br O OH CH 3 CH 3 Ki = 0.43 nM 487.14 CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL2038197 single protein format
CHEMBL333650 OBDepict CH 3 O N CH 3 N O N H S O OH N O O Ki = 0.46 nM 472.52 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1 Homo sapiens CHEMBL811900 single protein format
CHEMBL340158 OBDepict Cl O N Cl N O N H S O OH N H O O Ki = 0.46 nM 527.39 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL811900 single protein format
CHEMBL46882 OBDepict HO O NH O CH 3 H 3 C O HO CH 3 H 3 C Ki = 0.47 nM 343.38 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949480 single protein format
CHEMBL4754786 OBDepict OH H 3 C O N H CH 3 O O N CH 3 O N H CH 3 H Cl IC50 = 0.5 nM 487.98 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL594047 OBDepict OH O NH O CH 3 Cl O S HO O O Ki = 0.5 nM 467.93 Cc1cc(NC(=O)CC(=O)O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCC2)c1 Homo sapiens CHEMBL1068514 single protein format
CHEMBL608990 OBDepict HO O NH O H 3 C CH 3 O HO Ki = 0.5 nM 341.36 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2 Homo sapiens CHEMBL1068514 single protein format
CHEMBL594024 OBDepict F OH O Cl Cl N N O N H O Ki = 0.51 nM 474.28 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(Cc4ccc(F)cc4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL1068514 single protein format
CHEMBL3397343 OBDepict OH O O N H 3 C HO Ki = 0.54 nM 401.46 Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL236291 OBDepict O HN H O OH Br Br O OH CH 3 CH 3 IC50 = 0.6 nM 577.27 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL125242 OBDepict Cl O N Cl N O N H O OH N O Ki = 0.63 nM 477.3 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCCCC1 Homo sapiens CHEMBL811900 single protein format
CHEMBL124318 OBDepict Cl O N Cl N O N H O OH N H O Ki = 0.64 nM 463.28 O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O Homo sapiens CHEMBL811900 single protein format
CHEMBL3397344 OBDepict HO O O N CH 3 OH Ki = 0.64 nM 379.46 Cc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL4763593 OBDepict HO H N O O H CH 3 O N H 3 C O N H H F Cl IC50 = 0.7 nM 491.95 COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2CCO)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL391512 OBDepict O HN H O HO H 3 C CH 3 Br Br O OH CH 3 CH 3 IC50 = 0.71 nM 543.25 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL124819 OBDepict Cl O N Cl N O N H O OH N O O Ki = 0.72 nM 479.28 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1 Homo sapiens CHEMBL811900 single protein format
CHEMBL236290 OBDepict O HN H O OH Br Br O OH CH 3 CH 3 IC50 = 0.78 nM 577.27 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL512383 OBDepict I O I P O OH HO OH CH 3 H 3 C Ki = 0.84 nM 574.09 CC(C)c1cc(Oc2c(I)cc(CP(=O)(O)O)cc2I)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL457528 OBDepict I O O I P O OH OH HO H 3 C H 3 C Ki = 0.97 nM 590.09 CC(C)c1cc(Oc2c(I)cc(OCP(=O)(O)O)cc2I)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL3397333 OBDepict OH O O N OH CH 3 CH 3 Ki = 1.04 nM 339.39 CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)ccc32)ccc1O Homo sapiens CHEMBL3399151 cell-based format
CHEMBL41036 OBDepict OH O Cl Cl O HO H 3 C CH 3 IC50 = 1.1 nM 355.22 CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL3397345 OBDepict OH O O N H 3 C HO Ki = 1.11 nM 407.51 Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL3397334 OBDepict OH O O N H 3 C HO CH 3 H 3 C Ki = 1.12 nM 353.42 Cc1cc2cc(OCC(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL2035879 OBDepict O NH O HO Br O HO H 3 C CH 3 Ki = 1.19 nM 448.31 CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)c3c2CCC3)ccc1O Homo sapiens CHEMBL2038197 single protein format
CHEMBL391367 OBDepict O HN CH 3 H O OH Br Br O OH CH 3 CH 3 IC50 = 1.3 nM 515.2 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL511862 OBDepict Br O N H Br P O OH OH HO H 3 C H 3 C Ki = 1.51 nM 495.1 CC(C)c1cc(Oc2c(Br)cc(NCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL2035876 OBDepict OH O N H O Cl Cl Cl O HO H 3 C CH 3 Ki = 1.54 nM 432.69 CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)O)c(Cl)c2Cl)ccc1O Homo sapiens CHEMBL2038197 single protein format
CHEMBL198875 OBDepict OH O N H Cl Cl Br HO IC50 = 1.8 nM 455.13 O=C(O)CCNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL882591 single protein format
CHEMBL193864 OBDepict OH O N H Cl Cl Br HO IC50 = 1.8 nM 441.11 O=C(O)CNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL882591 single protein format
CHEMBL340490 OBDepict CH 3 O N Cl N O N H O OH N O Ki = 1.9 nM 456.89 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(C(=O)N2CCCCC2)c1 Homo sapiens CHEMBL811900 single protein format
CHEMBL4776051 OBDepict H 3 C O O N N O N H CH 3 H CH 3 O HO Cl IC50 = 2.0 nM 500.0 COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL56801 OBDepict CH 3 S CH 3 O CH 3 CH 3 N N O N H O Ki = 2.0 nM 369.45 CSc1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2C)cc1C Homo sapiens CHEMBL811900 single protein format
CHEMBL596350 OBDepict Cl O N Cl N O N H O HO N O Ki = 2.0 nM 525.35 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCc2ccccc2C1 Homo sapiens CHEMBL1068514 single protein format
CHEMBL289965 OBDepict HO O Br Br O OH CH 3 H 3 C IC50 = 2.1 nM 430.09 CC(C)c1cc(Oc2c(Br)cc(C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL814601 single protein format
CHEMBL159682 OBDepict CH 3 O O N H O CH 3 CH 3 O OH OH F Ki = 2.17 nM 453.47 CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(O)c3ccc(F)cc3)c2)c(C)c1 Homo sapiens CHEMBL2317308 cell-based format
CHEMBL471488 OBDepict H 3 C O H 3 C P O OH OH HO CH 3 H 3 C Ki = 2.17 nM 364.38 Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL969513 cell-based format
CHEMBL4796689 OBDepict H CH 3 N O O H 3 C HO N O O H 3 C N H N Cl IC50 = 2.5 nM 474.95 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(NCc3cc(Cl)ccn3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL486359 OBDepict Br O Br P O OH OH HO H 3 C H 3 C Ki = 2.5 nM 494.12 CC(C)c1cc(Oc2c(Br)cc(CCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL457527 OBDepict Br O O Br P O OH OH HO H 3 C H 3 C Ki = 2.51 nM 496.09 CC(C)c1cc(Oc2c(Br)cc(OCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL2035881 OBDepict OH O NH O CH 3 O HO CH 3 H 3 C Ki = 2.59 nM 369.42 Cc1cc(NC(=O)C(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038197 single protein format
CHEMBL236080 OBDepict O HN O OH Br Br O HO H 3 C CH 3 IC50 = 2.7 nM 501.17 CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL3397346 OBDepict OH O O N H 3 C HO Ki = 3.14 nM 387.44 Cc1cn(Cc2ccc(O)c(-c3ccccc3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL2312281 OBDepict O HN O OH CH 3 O OH F Ki = 3.7 nM 449.48 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(Cc3ccc(F)cc3)c1)CCC2 Homo sapiens CHEMBL2317308 cell-based format
CHEMBL4786634 OBDepict OH H N O O H H 3 C O N CH 3 O N H CH 3 H Cl IC50 = 4.0 nM 473.96 COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2CCO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL381937 OBDepict CH 3 CH 3 N H O Br O Cl Cl O HO IC50 = 4.3 nM 475.17 CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br Homo sapiens CHEMBL867119 single protein format
CHEMBL4787137 OBDepict OH N O CH 3 O N H 3 C O N H Cl IC50 = 4.3 nM 457.96 COc1cc(C(=O)N2CC(C)CCC2CCO)cc2nc(NCc3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL440975 OBDepict O HN CH 3 H O OH Br Br O OH CH 3 CH 3 IC50 = 5.9 nM 515.2 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896601 cell-based format
CHEMBL4758225 OBDepict OH H N O O H H 3 C O N CH 3 O N H CH 3 H Cl IC50 = 6.0 nM 473.96 COc1cc(C(=O)N2C[C@@H](C)OC[C@H]2CCO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL2312269 OBDepict O NH O HO CH 3 O HO F F Ki = 6.0 nM 481.5 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)c(F)c3)c1)CCC2 Homo sapiens CHEMBL2317308 cell-based format
CHEMBL448595 OBDepict CH 3 CH 3 HO H 3 C H 3 C O P O OH OH Ki = 6.64 nM 378.41 CCC(C)c1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL193615 OBDepict HO HN O Cl Cl CH 3 OH IC50 = 7.2 nM 362.21 Cc1c(O)ccc2c(-c3c(Cl)cc(NC(=O)O)cc3Cl)cccc12 Homo sapiens CHEMBL882591 single protein format
CHEMBL2035878 OBDepict O NH O HO CH 3 O HO CH 3 H 3 C Ki = 7.8 nM 383.44 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038197 single protein format
CHEMBL4793547 OBDepict H 3 C O O N N O N H CH 3 O N HO Cl IC50 = 8.0 nM 486.96 COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(NCc3cc(Cl)ccn3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL4783934 OBDepict CH 3 O O N N O N H H 3 C OH Cl IC50 = 8.0 nM 469.97 COc1cc(C(=O)N2CC(C)C(O)CC2C2CC2)cc2nc(NCc3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL3397347 OBDepict OH O O N H 3 C HO Ki = 8.04 nM 393.48 Cc1cn(Cc2ccc(O)c(C3CCCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399151 cell-based format
CHEMBL2312264 OBDepict O HN O OH H 3 C O OH F Ki = 8.2 nM 463.51 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3)c1)CCC2 Homo sapiens CHEMBL2317308 cell-based format
CHEMBL203828 OBDepict OH O Br O Br OH CH 3 H 3 C IC50 = 8.5 nM 470.16 CC(C)c1cc(Oc2c(Br)cc3c(c2Br)CC(C(=O)O)C3)ccc1O Homo sapiens CHEMBL866542 single protein format
CHEMBL4776950 OBDepict OH CH 3 O N H H 3 C O N O N H 3 C N N H Cl IC50 = 8.7 nM 473.96 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cn2nc(NCc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL371245 OBDepict OH O Cl Cl O Br HO IC50 = 9.0 nM 392.03 O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(Br)c2)c(Cl)c1 Homo sapiens CHEMBL882591 single protein format
CHEMBL485758 OBDepict H 3 C N H H 3 C P O OH OH HO CH 3 H 3 C Ki = 9.1 nM 363.39 Cc1cc(NCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949480 single protein format
CHEMBL4793166 OBDepict H 3 C O N N N N O N H CH 3 O HO Cl IC50 = 9.4 nM 485.97 COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cn2nc(NCc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL4672669 single protein format
CHEMBL485928 OBDepict H 3 C HO H 3 C H 3 C O P O OH OH Ki = 9.72 nM 350.35 CCc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O Homo sapiens CHEMBL949480 single protein format
CHEMBL4760241 OBDepict HO N O O CH 3 O N CH 3 O N H CH 3 H Cl IC50 = 10.0 nM 459.93 COc1cc(C(=O)N2CC(C)OCC2CO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL4672669 single protein format