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P10827 | THA_HUMAN | Thyroid hormone receptor alpha (THRA)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL289343 OBDepict OH O Br Br O HO H 3 C CH 3 IC50 = 0.1 nM 458.15 CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL41314 OBDepict OH O H 2 N H I I O OH CH 3 CH 3 IC50 = 0.14 nM 567.16 CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(=O)O)cc2I)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL3397337 OBDepict OH O O Cl N OH CH 3 CH 3 Ki = 0.35 nM 373.84 CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)cc(Cl)c32)ccc1O Homo sapiens CHEMBL3399152 cell-based format
CHEMBL3397339 OBDepict OH O O Cl N H 3 C HO CH 3 H 3 C Ki = 0.38 nM 387.86 Cc1cc2cc(OCC(=O)O)cc(Cl)c2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL46882 OBDepict HO O NH O CH 3 H 3 C O HO CH 3 H 3 C Ki = 0.51 nM 343.38 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL3397341 OBDepict OH O O Cl N CH 3 HO CH 3 H 3 C Ki = 0.51 nM 387.86 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(Cl)cc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL608990 OBDepict HO O NH O H 3 C CH 3 O HO Ki = 0.7 nM 341.36 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2 Homo sapiens CHEMBL1068515 single protein format
CHEMBL418432 OBDepict OH O Cl Cl O HO H 3 C CH 3 IC50 = 0.76 nM 369.24 CC(C)c1cc(Oc2c(Cl)cc(CCC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL107400 OBDepict OH O O H 3 C CH 3 HO CH 3 H 3 C Ki = 1.09 nM 328.41 Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL3397336 OBDepict OH O O H 3 C N HO CH 3 H 3 C Ki = 1.09 nM 353.42 Cc1cc(OCC(=O)O)cc2ccn(Cc3ccc(O)c(C(C)C)c3)c12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL39174 OBDepict OH O Br Br O HO H 3 C CH 3 IC50 = 1.4 nM 444.12 CC(C)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL203777 OBDepict Cl O N Cl H O HO OH CH 3 CH 3 IC50 = 1.4 nM 380.23 CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc3c2Cl)ccc1O Homo sapiens CHEMBL866541 single protein format
CHEMBL512383 OBDepict I O I P O OH HO OH CH 3 H 3 C Ki = 1.84 nM 574.09 CC(C)c1cc(Oc2c(I)cc(CP(=O)(O)O)cc2I)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL3397338 OBDepict OH O O H 3 C N H 3 C HO CH 3 H 3 C Ki = 2.05 nM 367.45 Cc1cc(OCC(=O)O)cc2cc(C)n(Cc3ccc(O)c(C(C)C)c3)c12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL594047 OBDepict OH O NH O CH 3 Cl O S HO O O Ki = 2.1 nM 467.93 Cc1cc(NC(=O)CC(=O)O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCC2)c1 Homo sapiens CHEMBL1068515 single protein format
CHEMBL2035881 OBDepict OH O NH O CH 3 O HO CH 3 H 3 C Ki = 2.45 nM 369.42 Cc1cc(NC(=O)C(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038198 single protein format
CHEMBL425939 OBDepict Br O N Br H O HO OH CH 3 CH 3 IC50 = 2.5 nM 469.13 CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)O)cc3c2Br)ccc1O Homo sapiens CHEMBL866541 single protein format
CHEMBL3397340 OBDepict OH O O H 3 C N CH 3 HO CH 3 H 3 C Ki = 2.77 nM 367.45 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL594025 OBDepict F OH O CH 3 CH 3 N N O N H O Ki = 3.0 nM 433.44 Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1 Homo sapiens CHEMBL1068515 single protein format
CHEMBL457528 OBDepict I O O I P O OH OH HO H 3 C H 3 C Ki = 3.74 nM 590.09 CC(C)c1cc(Oc2c(I)cc(OCP(=O)(O)O)cc2I)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL194242 OBDepict O N H O OH Cl Cl Br HO IC50 = 4.3 nM 469.12 O=C(O)CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL236289 OBDepict O HN H O HO H 3 C CH 3 Br Br O OH CH 3 CH 3 IC50 = 4.3 nM 543.25 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL198367 OBDepict HO O NH O Cl Cl Br HO IC50 = 5.4 nM 455.09 O=C(O)C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL236291 OBDepict O HN H O OH Br Br O OH CH 3 CH 3 IC50 = 5.5 nM 577.27 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL41036 OBDepict OH O Cl Cl O HO H 3 C CH 3 Ki = 7.18 nM 355.22 CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL969512 cell-based format
CHEMBL236290 OBDepict O HN H O OH Br Br O OH CH 3 CH 3 IC50 = 7.5 nM 577.27 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL3397335 OBDepict OH O O N CH 3 HO CH 3 H 3 C Ki = 7.74 nM 353.42 Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL594024 OBDepict F OH O Cl Cl N N O N H O Ki = 8.0 nM 474.28 O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(Cc4ccc(F)cc4)c3)c(Cl)c2)c(=O)[nH]1 Homo sapiens CHEMBL1068515 single protein format
CHEMBL163228 OBDepict HO O NH 2 H Br Br O HO N N HO Ki = 8.72 nM 539.18 N[C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(O)nn3)c2)c(Br)c1)C(=O)O Homo sapiens CHEMBL2317309 cell-based format
CHEMBL2035874 OBDepict O N H O HO Br Br O OH CH 3 CH 3 Ki = 9.6 nM 487.14 CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL2038198 single protein format
CHEMBL289965 OBDepict HO O Br Br O OH CH 3 H 3 C IC50 = 9.7 nM 430.09 CC(C)c1cc(Oc2c(Br)cc(C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL391512 OBDepict O HN H O HO H 3 C CH 3 Br Br O OH CH 3 CH 3 IC50 = 9.8 nM 543.25 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL3397342 OBDepict OH O O N CH 3 HO H 3 C H 3 C CH 3 Ki = 9.98 nM 367.45 Cc1cn(Cc2ccc(O)c(C(C)(C)C)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL391367 OBDepict O HN CH 3 H O OH Br Br O OH CH 3 CH 3 IC50 = 10.0 nM 515.2 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL511862 OBDepict Br O N H Br P O OH OH HO H 3 C H 3 C Ki = 10.3 nM 495.1 CC(C)c1cc(Oc2c(Br)cc(NCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL198875 OBDepict OH O N H Cl Cl Br HO IC50 = 13.0 nM 455.13 O=C(O)CCNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL3397333 OBDepict OH O O N OH CH 3 CH 3 Ki = 13.45 nM 339.39 CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)ccc32)ccc1O Homo sapiens CHEMBL3399152 cell-based format
CHEMBL196642 OBDepict CH 3 O H 3 C CH 3 Cl Cl N H O O OH IC50 = 14.0 nM 446.33 COc1ccc2c(-c3c(Cl)cc(NC(=O)CC(=O)O)cc3Cl)cccc2c1C(C)C Homo sapiens CHEMBL880611 single protein format
CHEMBL3397334 OBDepict OH O O N H 3 C HO CH 3 H 3 C Ki = 16.33 nM 353.42 Cc1cc2cc(OCC(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL457527 OBDepict Br O O Br P O OH OH HO H 3 C H 3 C Ki = 18.6 nM 496.09 CC(C)c1cc(Oc2c(Br)cc(OCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL193864 OBDepict OH O N H Cl Cl Br HO IC50 = 19.0 nM 441.11 O=C(O)CNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL125242 OBDepict Cl O N Cl N O N H O OH N O Ki = 20.0 nM 477.3 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCCCC1 Homo sapiens CHEMBL1068515 single protein format
CHEMBL2035876 OBDepict OH O N H O Cl Cl Cl O HO H 3 C CH 3 Ki = 24.4 nM 432.69 CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)O)c(Cl)c2Cl)ccc1O Homo sapiens CHEMBL2038198 single protein format
CHEMBL41036 OBDepict OH O Cl Cl O HO H 3 C CH 3 IC50 = 25.0 nM 355.22 CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL236080 OBDepict O HN O OH Br Br O HO H 3 C CH 3 IC50 = 26.0 nM 501.17 CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL485758 OBDepict H 3 C N H H 3 C P O OH OH HO CH 3 H 3 C Ki = 28.4 nM 363.39 Cc1cc(NCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL448595 OBDepict CH 3 CH 3 HO H 3 C H 3 C O P O OH OH Ki = 30.5 nM 378.41 CCC(C)c1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL2312281 OBDepict O HN O OH CH 3 O OH F Ki = 30.5 nM 449.48 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(Cc3ccc(F)cc3)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL3397344 OBDepict HO O O N CH 3 OH Ki = 32.33 nM 379.46 Cc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL471488 OBDepict H 3 C O H 3 C P O OH OH HO CH 3 H 3 C Ki = 35.2 nM 364.38 Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL969512 cell-based format
CHEMBL217221 OBDepict OH O Br Br O HO H 3 C CH 3 N IC50 = 36.0 nM 561.27 CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc(/C=C/c2ccncc2)c1O Homo sapiens CHEMBL856619 single protein format
CHEMBL3397343 OBDepict OH O O N H 3 C HO Ki = 36.53 nM 401.46 Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL203828 OBDepict OH O Br O Br OH CH 3 H 3 C IC50 = 38.0 nM 470.16 CC(C)c1cc(Oc2c(Br)cc3c(c2Br)CC(C(=O)O)C3)ccc1O Homo sapiens CHEMBL866541 single protein format
CHEMBL159682 OBDepict CH 3 O O N H O CH 3 CH 3 O OH OH F Ki = 40.0 nM 453.47 CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(O)c3ccc(F)cc3)c2)c(C)c1 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL486359 OBDepict Br O Br P O OH OH HO H 3 C H 3 C Ki = 42.1 nM 494.12 CC(C)c1cc(Oc2c(Br)cc(CCP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL3397345 OBDepict OH O O N H 3 C HO Ki = 46.55 nM 407.51 Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL193615 OBDepict HO HN O Cl Cl CH 3 OH IC50 = 48.0 nM 362.21 Cc1c(O)ccc2c(-c3c(Cl)cc(NC(=O)O)cc3Cl)cccc12 Homo sapiens CHEMBL880611 single protein format
CHEMBL485928 OBDepict H 3 C HO H 3 C H 3 C O P O OH OH Ki = 61.6 nM 350.35 CCc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL372428 OBDepict O N H O OH Cl Cl Br HO IC50 = 62.0 nM 483.15 O=C(O)CCC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL2035879 OBDepict O NH O HO Br O HO H 3 C CH 3 Ki = 69.3 nM 448.31 CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)c3c2CCC3)ccc1O Homo sapiens CHEMBL2038198 single protein format
CHEMBL250308 OBDepict CH 3 N H O Br Br O HO IC50 = 78.0 nM 457.16 CCNc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1 Homo sapiens CHEMBL903380 single protein format
CHEMBL440975 OBDepict O HN CH 3 H O OH Br Br O OH CH 3 CH 3 IC50 = 83.0 nM 515.2 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL236499 OBDepict O HN H O HO H 3 C CH 3 Br Br O F OH CH 3 CH 3 IC50 = 88.0 nM 561.24 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)cc(F)c1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL3397346 OBDepict OH O O N H 3 C HO Ki = 89.89 nM 387.44 Cc1cn(Cc2ccc(O)c(-c3ccccc3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL2312262 OBDepict O NH O HO H 3 C O HO N N H O Ki = 91.8 nM 449.46 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(Cc3ccc(=O)[nH]n3)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL250104 OBDepict OH O Br Br O Br IC50 = 99.0 nM 492.99 O=C(O)CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 Homo sapiens CHEMBL903380 single protein format
CHEMBL195079 OBDepict OH O Cl Cl Br HO IC50 = 101.0 nM 426.09 O=C(O)Cc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL371245 OBDepict OH O Cl Cl O Br HO IC50 = 109.0 nM 392.03 O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(Br)c2)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL196613 OBDepict HO N H O Cl Cl OH IC50 = 125.0 nM 424.28 O=C(O)Nc1cc(Cl)c(-c2cccc3c(-c4ccccc4)c(O)ccc23)c(Cl)c1 Homo sapiens CHEMBL880611 single protein format
CHEMBL596350 OBDepict Cl O N Cl N O N H O HO N O Ki = 126.0 nM 525.35 O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCc2ccccc2C1 Homo sapiens CHEMBL1068515 single protein format
CHEMBL2035882 OBDepict HO O N H O CH 3 O OH H 3 C CH 3 Ki = 127.0 nM 383.44 Cc1cc(C(=O)NCC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038198 single protein format
CHEMBL40738 OBDepict HO O Cl Cl O OH CH 3 H 3 C IC50 = 130.0 nM 341.19 CC(C)c1cc(Oc2c(Cl)cc(C(=O)O)cc2Cl)ccc1O Homo sapiens CHEMBL873891 single protein format
CHEMBL458784 OBDepict H 3 C O S H 3 C P O OH OH HO CH 3 H 3 C Ki = 143.0 nM 382.42 Cc1cc(SCP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL2035875 OBDepict O N H O OH H 3 C CH 3 O HO CH 3 H 3 C Ki = 147.0 nM 357.41 Cc1cc(NC(=O)CC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL2038198 single protein format
CHEMBL2035884 OBDepict O NH O HO CH 3 HO CH 3 H 3 C Ki = 154.0 nM 381.47 Cc1cc(NC(=O)CC(=O)O)c2c(c1Cc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038198 single protein format
CHEMBL236498 OBDepict O HN H O HO O OH Br Br O OH CH 3 CH 3 IC50 = 168.0 nM 559.21 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](CC(=O)O)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format
CHEMBL2035878 OBDepict O NH O HO CH 3 O HO CH 3 H 3 C Ki = 172.0 nM 383.44 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 Homo sapiens CHEMBL2038198 single protein format
CHEMBL457529 OBDepict H 3 C O O H 3 C P O OH OH HO CH 3 H 3 C Ki = 183.0 nM 366.35 Cc1cc(OCP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL516330 OBDepict Cl O N H Cl P O OH OH HO H 3 C H 3 C Ki = 186.0 nM 406.2 CC(C)c1cc(Oc2c(Cl)cc(NCP(=O)(O)O)cc2Cl)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL2312269 OBDepict O NH O HO CH 3 O HO F F Ki = 186.0 nM 481.5 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)c(F)c3)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL3126369 OBDepict HO O N H O N H 3 C HO CH 3 H 3 C IC50 = 190.0 nM 366.42 Cc1ccc(NC(=O)C(=O)O)c2ccn(Cc3ccc(O)c(C(C)C)c3)c12 Homo sapiens CHEMBL3131652 single protein format
CHEMBL2035877 OBDepict OH O N H O CH 3 CH 3 H 3 C O HO CH 3 H 3 C Ki = 195.0 nM 371.43 Cc1cc(NC(=O)CC(=O)O)c(C)c(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL2038198 single protein format
CHEMBL3397347 OBDepict OH O O N H 3 C HO Ki = 199.97 nM 393.48 Cc1cn(Cc2ccc(O)c(C3CCCCC3)c2)c2ccc(OCC(=O)O)cc12 Homo sapiens CHEMBL3399152 cell-based format
CHEMBL203555 OBDepict OH O N H 3 C CH 3 O HO CH 3 H 3 C IC50 = 200.0 nM 351.4 Cc1cc2nc(C(=O)O)ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL866541 single protein format
CHEMBL2312268 OBDepict O HN O OH H 3 C O OH F F Ki = 201.0 nM 481.5 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3F)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL2312264 OBDepict O HN O OH H 3 C O OH F Ki = 228.0 nM 463.51 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL3126367 OBDepict HO O N H O N H 3 C HO CH 3 H 3 C IC50 = 230.0 nM 366.42 Cc1cc2c(NC(=O)C(=O)O)cccc2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3131652 single protein format
CHEMBL3126368 OBDepict HO O NH O N H 3 C HO CH 3 H 3 C IC50 = 230.0 nM 366.42 Cc1cc2cc(NC(=O)C(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL3131652 single protein format
CHEMBL519721 OBDepict Br O Br P O OH HO OH CH 3 H 3 C Ki = 235.0 nM 480.09 CC(C)c1cc(Oc2c(Br)cc(CP(=O)(O)O)cc2Br)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL381937 OBDepict CH 3 CH 3 N H O Br O Cl Cl O HO IC50 = 240.0 nM 475.17 CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br Homo sapiens CHEMBL867118 single protein format
CHEMBL378593 OBDepict OH O N HO Br Br O HO H 3 C CH 3 IC50 = 250.0 nM 497.14 CC(C)c1cc(Oc2c(Br)cc3nc(C(=O)O)cc(O)c3c2Br)ccc1O Homo sapiens CHEMBL866541 single protein format
CHEMBL505084 OBDepict H 3 C O N H H 3 C P O O OH OH HO CH 3 H 3 C Ki = 285.0 nM 379.35 Cc1cc(NC(=O)P(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL2035880 OBDepict O N H O HO Br O OH CH 3 CH 3 Ki = 300.0 nM 462.34 CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)c3c2CCCC3)ccc1O Homo sapiens CHEMBL2038198 single protein format
CHEMBL486358 OBDepict Cl O Cl P O OH HO OH CH 3 H 3 C Ki = 303.0 nM 391.19 CC(C)c1cc(Oc2c(Cl)cc(CP(=O)(O)O)cc2Cl)ccc1O Homo sapiens CHEMBL949479 single protein format
CHEMBL249895 OBDepict OH O Br Br O CH 3 IC50 = 360.0 nM 428.12 Cc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1 Homo sapiens CHEMBL903380 single protein format
CHEMBL250101 OBDepict OH O Br Br O F F F IC50 = 370.0 nM 482.09 O=C(O)CCc1cc(Br)c(OCc2cccc(C(F)(F)F)c2)c(Br)c1 Homo sapiens CHEMBL903380 single protein format
CHEMBL519215 OBDepict H 3 C H 3 C P O OH OH HO CH 3 H 3 C Ki = 378.0 nM 362.41 Cc1cc(CCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 Homo sapiens CHEMBL949479 single protein format
CHEMBL192142 OBDepict OH O Br Br O IC50 = 420.0 nM 406.11 O=C(O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1 Homo sapiens CHEMBL827048 single protein format
CHEMBL2312280 OBDepict O NH O HO CH 3 O HO Ki = 429.0 nM 451.56 Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCC3CCCCC3)c1)CCC2 Homo sapiens CHEMBL2317309 cell-based format
CHEMBL391513 OBDepict O HN H O HO O OH Br Br O OH CH 3 CH 3 IC50 = 460.0 nM 559.21 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2Br)ccc1O Homo sapiens CHEMBL896600 cell-based format