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P32754 | HPPD_HUMAN | 4-hydroxyphenylpyruvate dioxygenase (HPD)

3D structures mapped by conservation among orthologs

[ Domain: "Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase" // PLN02875 ]

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[ Domain: "Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase" // Glyoxalase_10 ]

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[ Domain: "Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase" // Glyoxalase_4_2 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3342603 OBDepict Cl N H 3 C N O O N OH N CH 3 Ki = 10.0 nM 394.82 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(Cl)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3343183 OBDepict CH 3 Br N CH 3 N O O N HO N H 3 C Ki = 11.0 nM 453.3 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(Br)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342605 OBDepict CH 3 N H 3 C N O O N OH N CH 3 Ki = 13.0 nM 374.4 Cc1cccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342604 OBDepict Br N H 3 C N O O N OH N CH 3 Ki = 14.0 nM 439.27 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(Br)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342432 OBDepict F N H 3 C N O O N OH N CH 3 Ki = 15.0 nM 378.36 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1F Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342610 OBDepict Br N CH 3 N O O N HO N H 3 C Ki = 18.0 nM 439.27 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(Br)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342431 OBDepict O N OH N H 3 C N O N CH 3 Ki = 19.0 nM 360.37 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342602 OBDepict F N H 3 C N O O N OH N CH 3 Ki = 20.0 nM 378.36 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(F)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408320 OBDepict H 3 C N O N H 3 C O N HO N CH 3 IC50 = 21.0 nM 314.35 CCn1c(=O)n(CC)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3408319 OBDepict H 3 C N O N CH 3 O N OH N H 3 C IC50 = 22.0 nM 328.37 CCCn1c(=O)n(CC)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3408314 OBDepict CH 3 N O N CH 3 O N OH N H 3 C IC50 = 22.0 nM 300.32 CCn1c(=O)n(C)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3342609 OBDepict Cl N CH 3 N O O N HO N H 3 C Ki = 22.0 nM 394.82 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(Cl)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342598 OBDepict Cl N H 3 C N O O N OH N CH 3 Ki = 22.0 nM 394.82 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1Cl Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342599 OBDepict Br N H 3 C N O O N OH N CH 3 Ki = 24.0 nM 439.27 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1Br Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342611 OBDepict CH 3 N CH 3 N O O N HO N H 3 C Ki = 25.0 nM 374.4 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3343184 OBDepict O N OH N H 3 C N O N CH 3 Cl Cl Ki = 25.0 nM 429.26 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342607 OBDepict O N OH N H 3 C N O N CH 3 O F F F Ki = 31.0 nM 444.37 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(OC(F)(F)F)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342614 OBDepict Cl CH 3 N CH 3 N O O N HO N H 3 C Ki = 32.0 nM 408.85 Cc1cc(Cl)ccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342608 OBDepict F N CH 3 N O O N HO N H 3 C Ki = 34.0 nM 378.36 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(F)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342606 OBDepict CH 3 O N CH 3 N O O N HO N H 3 C Ki = 34.0 nM 390.4 COc1cccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL1337 OBDepict O O O + N O _ O F F F Ki = 37.0 nM 329.23 O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342601 OBDepict CH 3 O N H 3 C N O O N OH N CH 3 Ki = 38.0 nM 390.4 COc1ccccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408324 OBDepict CH 3 N O N H 3 C O N OH N H 3 C IC50 = 39.0 nM 328.37 CCCn1c(=O)n(CC)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3343182 OBDepict F CH 3 N CH 3 N O O N HO N H 3 C Ki = 40.0 nM 392.39 Cc1cc(F)ccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408325 OBDepict CH 3 N O N CH 3 O N HO N CH 3 IC50 = 40.0 nM 342.4 CCCn1c(=O)n(CCC)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL4533679 OBDepict Br O + N O _ O O HO O IC50 = 47.0 nM 446.25 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Br)cc2)c1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL3342600 OBDepict CH 3 N H 3 C N O O N OH N CH 3 Ki = 58.0 nM 374.4 Cc1ccccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3343187 OBDepict CH 3 H 3 C N CH 3 N O O N HO N H 3 C Ki = 59.0 nM 388.43 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(C)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408157 OBDepict H 3 C N O N CH 3 O N OH N H 3 C IC50 = 59.0 nM 314.35 CCCn1c(=O)n(C)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3342612 OBDepict CH 3 O N CH 3 N O O N HO N H 3 C Ki = 60.0 nM 390.4 COc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408313 OBDepict O N HO N H 3 C N N CH 3 H 3 C CH 3 O IC50 = 61.0 nM 314.35 CC(C)n1c(=O)n(C)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL4526579 OBDepict Cl Cl O + N O _ O O HO O IC50 = 63.0 nM 436.25 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL3408321 OBDepict CH 3 N O N H 3 C CH 3 O N OH N H 3 C IC50 = 64.0 nM 328.37 CCn1c(=O)n(C(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL4564855 OBDepict Br F O + N O _ O O HO O IC50 = 68.0 nM 464.24 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Br)cc2F)c1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL4582009 OBDepict CH 3 H 3 C O + N O _ O O OH O IC50 = 68.0 nM 395.41 Cc1cc(C)cc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+](=O)[O-])c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3408156 OBDepict CH 3 O O O CH 3 + N O _ O F F F IC50 = 68.0 nM 331.25 CCC(=O)C(C(C)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Homo sapiens CHEMBL3412604 assay format
CHEMBL4571726 OBDepict CH 3 H 3 C O + N O _ O O OH O IC50 = 70.0 nM 409.44 CC(C)c1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+](=O)[O-])cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4540372 OBDepict CH 3 O + N O _ O O OH O IC50 = 70.0 nM 381.38 Cc1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+](=O)[O-])cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342416 OBDepict CH 3 N CH 3 N O O CH 3 N HO N H 3 C Ki = 74.0 nM 388.43 Cc1cccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408326 OBDepict H 3 C N O N H 3 C H 3 C CH 3 O N HO N CH 3 IC50 = 77.0 nM 356.43 CCCn1c(=O)n(C(C)(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3342415 OBDepict F N H 3 C N O O CH 3 N HO N H 3 C Ki = 79.0 nM 392.39 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3F)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342426 OBDepict CH 3 F N CH 3 N O O CH 3 N HO N H 3 C Ki = 81.0 nM 406.42 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c(F)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4567229 OBDepict OH O O + N O _ O F F F IC50 = 85.0 nM 329.23 O=C1CCCC(O)=C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL3342412 OBDepict Cl N H 3 C N O O CH 3 N HO N H 3 C Ki = 86.0 nM 408.85 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3Cl)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342428 OBDepict CH 3 Br N CH 3 N O O CH 3 N HO N H 3 C Ki = 87.0 nM 467.32 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c(Br)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3343186 OBDepict CH 3 Cl N CH 3 N O O N HO N H 3 C Ki = 90.0 nM 408.85 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(Cl)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342419 OBDepict F N H 3 C N O O CH 3 N HO N H 3 C Ki = 90.0 nM 392.39 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(F)c3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4554387 OBDepict Br O O OH O IC50 = 91.0 nM 401.26 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Br)cc2)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342418 OBDepict Br N H 3 C N O O CH 3 N HO N H 3 C Ki = 93.0 nM 453.3 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(Br)c3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4564283 OBDepict F F O + N O _ O O HO O IC50 = 95.0 nM 403.34 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(F)cc2F)c1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL3408315 OBDepict O N OH N CH 3 N N H 3 C O CH 3 H 3 C CH 3 IC50 = 100.0 nM 328.37 Cn1ncc(C(=O)c2ccc3c(c2)n(C(C)(C)C)c(=O)n3C)c1O Homo sapiens CHEMBL3412604 assay format
CHEMBL3408318 OBDepict O N HO N H 3 C N N CH 3 O IC50 = 100.0 nM 312.33 Cn1ncc(C(=O)c2ccc3c(c2)n(C2CC2)c(=O)n3C)c1O Homo sapiens CHEMBL3412604 assay format
CHEMBL4574113 OBDepict F O Cl CH 3 O OH O IC50 = 102.0 nM 388.82 Cc1c(C(=O)C2=C(O)CCCC2=O)ccc(Cl)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4539445 OBDepict CH 3 HO O O + N O _ O O F Br IC50 = 105.0 nM 478.27 CC1CC(=O)C(C(=O)c2cccc(OCc3ccc(Br)cc3F)c2[N+](=O)[O-])=C(O)C1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4565020 OBDepict CH 3 HO O O + N O _ O O Cl Cl IC50 = 106.0 nM 450.27 CC1CC(=O)C(C(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])=C(O)C1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342430 OBDepict CH 3 Cl N CH 3 N O O CH 3 N HO N H 3 C Ki = 109.0 nM 422.87 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c(Cl)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4571011 OBDepict Br F O O OH O IC50 = 121.0 nM 419.25 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Br)cc2F)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4589830 OBDepict OH O O CH 3 O Cl IC50 = 128.0 nM 370.83 Cc1c(C(=O)C2=C(O)CCCC2=O)ccc(Cl)c1OCc1ccccc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4577367 OBDepict F O + N O _ O O HO O IC50 = 128.0 nM 385.35 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(F)cc2)c1[N+](=O)[O-] Homo sapiens CHEMBL4481032 assay format
CHEMBL3408317 OBDepict O N OH N CH 3 N N H 3 C O IC50 = 130.0 nM 362.39 Cn1ncc(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)n3C)c1O Homo sapiens CHEMBL3412604 assay format
CHEMBL3408312 OBDepict O N OH N CH 3 N N H 3 C O IC50 = 130.0 nM 340.38 Cn1ncc(C(=O)c2ccc3c(c2)n(C2CCCC2)c(=O)n3C)c1O Homo sapiens CHEMBL3412604 assay format
CHEMBL3342422 OBDepict Br N H 3 C N O O CH 3 N HO N H 3 C Ki = 130.0 nM 453.3 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Br)cc3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408311 OBDepict CH 3 H 3 C N O N CH 3 O N OH N H 3 C IC50 = 140.0 nM 328.37 CC(C)Cn1c(=O)n(C)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL4537208 OBDepict Cl Cl O O OH O IC50 = 143.0 nM 391.25 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4549115 OBDepict Cl F O O OH O IC50 = 147.0 nM 374.8 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Cl)cc2F)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3408322 OBDepict CH 3 N O N CH 3 CH 3 H 3 C O N OH N H 3 C IC50 = 150.0 nM 342.4 CCn1c(=O)n(C(C)(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3342423 OBDepict CH 3 N CH 3 N O O CH 3 N HO N H 3 C Ki = 156.0 nM 388.43 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342613 OBDepict O N HO N CH 3 N O N H 3 C O F F F Ki = 160.0 nM 444.37 Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342425 OBDepict CH 3 H 3 C N CH 3 N O O CH 3 N HO N H 3 C Ki = 161.0 nM 402.45 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c(C)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4564075 OBDepict H 3 C OH O O + N O _ O O CH 3 IC50 = 168.0 nM 395.41 Cc1ccc(COc2cccc(C(=O)C3=C(O)CC(C)CC3=O)c2[N+](=O)[O-])cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3408310 OBDepict CH 3 N O N CH 3 O N OH N H 3 C IC50 = 170.0 nM 328.37 CCCCn1c(=O)n(C)c2ccc(C(=O)c3cnn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3343185 OBDepict CH 3 F N CH 3 N O O N HO N H 3 C Ki = 170.0 nM 392.39 Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(F)c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342417 OBDepict Cl N H 3 C N O O CH 3 N HO N H 3 C Ki = 173.0 nM 408.85 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(Cl)c3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL4582680 OBDepict CH 3 OH O O O Br IC50 = 176.0 nM 415.28 CC1CC(=O)C(C(=O)c2cccc(OCc3ccc(Br)cc3)c2)=C(O)C1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342429 OBDepict Cl CH 3 N CH 3 N O O CH 3 N HO N H 3 C Ki = 177.0 nM 422.87 Cc1cc(Cl)ccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL4538931 OBDepict CH 3 OH O O O F Br IC50 = 200.0 nM 433.27 CC1CC(=O)C(C(=O)c2cccc(OCc3ccc(Br)cc3F)c2)=C(O)C1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342414 OBDepict CH 3 O N CH 3 N O O CH 3 N HO N H 3 C Ki = 207.0 nM 404.43 COc1ccccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL4539505 OBDepict Cl O O OH O IC50 = 217.0 nM 356.8 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3342427 OBDepict F CH 3 N CH 3 N O O CH 3 N HO N H 3 C Ki = 219.0 nM 406.42 Cc1cc(F)ccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408323 OBDepict H 3 C N O N O N HO N CH 3 IC50 = 220.0 nM 326.36 CCn1c(=O)n(C2CC2)c2cc(C(=O)c3cnn(C)c3O)ccc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3342424 OBDepict Cl N H 3 C N O O CH 3 N HO N H 3 C Ki = 237.0 nM 408.85 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342421 OBDepict H 3 C O N H 3 C N O O H 3 C N OH N CH 3 Ki = 238.0 nM 404.43 COc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)cc1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342420 OBDepict F N H 3 C N O O CH 3 N HO N H 3 C Ki = 247.0 nM 392.39 Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1 Homo sapiens CHEMBL3388490 single protein format
CHEMBL3342413 OBDepict H 3 C N N CH 3 O OH N O N CH 3 CH 3 Ki = 248.0 nM 388.43 Cc1ccccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O Homo sapiens CHEMBL3388490 single protein format
CHEMBL3408316 OBDepict CH 3 N O N CH 3 O N OH N CH 3 IC50 = 250.0 nM 362.39 Cc1ccc(-n2c(=O)n(C)c3ccc(C(=O)c4cnn(C)c4O)cc32)cc1 Homo sapiens CHEMBL3412604 assay format
CHEMBL4541040 OBDepict Cl F O CH 3 O OH O IC50 = 257.0 nM 388.82 Cc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)C1=C(O)CCCC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4591004 OBDepict F O O OH O IC50 = 264.0 nM 340.35 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4529209 OBDepict Cl O CH 3 O HO O IC50 = 266.0 nM 370.83 Cc1c(OCc2ccc(Cl)cc2)cccc1C(=O)C1=C(O)CCCC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4521608 OBDepict CH 3 O O HO O IC50 = 266.0 nM 336.39 Cc1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2)cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4518798 OBDepict Br O CH 3 O HO O IC50 = 274.0 nM 415.28 Cc1c(OCc2ccc(Br)cc2)cccc1C(=O)C1=C(O)CCCC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4561368 OBDepict F O O HO O IC50 = 274.0 nM 340.35 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2cccc(F)c2)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4519334 OBDepict Br O CH 3 O HO O IC50 = 280.0 nM 415.28 Cc1c(OCc2cccc(Br)c2)cccc1C(=O)C1=C(O)CCCC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4552681 OBDepict F O CH 3 O HO O IC50 = 302.0 nM 354.38 Cc1c(OCc2ccc(F)cc2)cccc1C(=O)C1=C(O)CCCC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4547046 OBDepict OH O O O IC50 = 335.0 nM 322.36 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccccc2)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4533367 OBDepict CH 3 O CH 3 O OH O IC50 = 374.0 nM 350.41 Cc1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2C)cc1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4514200 OBDepict OH O O O F IC50 = 422.0 nM 340.35 O=C1CCCC(O)=C1C(=O)c1cccc(OCc2ccccc2F)c1 Homo sapiens CHEMBL4481032 assay format
CHEMBL4518828 OBDepict CH 3 OH O O CH 3 O F Cl IC50 = 447.0 nM 402.85 Cc1c(OCc2ccc(Cl)cc2F)cccc1C(=O)C1=C(O)CC(C)CC1=O Homo sapiens CHEMBL4481032 assay format
CHEMBL4563917 OBDepict Br O O OH O CH 3 CH 3 IC50 = 558.0 nM 429.31 CC1(C)CC(=O)C(C(=O)c2cccc(OCc3ccc(Br)cc3)c2)=C(O)C1 Homo sapiens CHEMBL4481032 assay format
CHEMBL3408328 OBDepict CH 3 N O N CH 3 O H 3 C N OH N H 3 C IC50 = 640.0 nM 342.4 CCCCn1c(=O)n(C)c2ccc(C(=O)c3c(C)nn(C)c3O)cc21 Homo sapiens CHEMBL3412604 assay format
CHEMBL3408335 OBDepict CH 3 N N H 3 C O OH N N H 3 C O IC50 = 670.0 nM 376.42 Cc1nn(C)c(O)c1C(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)n2C Homo sapiens CHEMBL3412604 assay format