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Q9NR19 | ACSA_HUMAN | "Acetyl-coenzyme A synthetase, cytoplasmic" (ACSS2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4467131 OBDepict F O F N N N O H 3 C N H O F F H 3 C IC50 = 0.0028 nM 500.45 CC1=NN(c2ccc(OC(F)F)c(-c3ccncc3)c2)C(=O)C1C(=O)Nc1cccc(C(C)(F)F)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4876400 OBDepict H 3 C O N N HN O N N N OH F F CH 3 N CH 3 IC50 = 0.01 nM 533.54 CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2F)c2ccccc2F)n3CC)n1 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4850648 OBDepict H 3 C N N N N H O O N N H 3 C N CH 3 OH F O F F IC50 = 0.01 nM 581.56 CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccc(OC(F)F)cc2)c2ccccc2F)n3CC)n1 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4873965 OBDepict CH 3 O N N NH O N N O OH H 3 C CH 3 IC50 = 0.01 nM 497.56 CCc1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)o1 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4846168 OBDepict H 3 C N N OH HN O Cl N N N H 3 C IC50 = 0.01 nM 500.99 CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4853889 OBDepict CH 3 O N N N N N N H N OH CH 3 IC50 = 0.01 nM 427.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4870590 OBDepict CH 3 O N N N N N N H N OH F F CH 3 IC50 = 0.01 nM 463.45 CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4550594 OBDepict F O F N N N O H 3 C N H O F F H 3 C IC50 = 0.33 nM 500.45 CC1=NN(c2ccc(OC(F)F)c(-c3cccnc3)c2)C(=O)C1C(=O)Nc1cccc(C(C)(F)F)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4449652 OBDepict CH 3 O N N O H 3 C N H O F F H 3 C IC50 = 0.4626 nM 401.41 CCC(F)(F)c1cccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)N=C2C)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4855352 OBDepict CH 3 O N N N N N N H N OH CH 3 N S IC50 = 1.0 nM 434.49 CCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4870878 OBDepict CH 3 O N N N N N N H N OH CH 3 N N IC50 = 1.0 nM 429.44 CCn1c(C(O)(c2ccccc2)c2ncccn2)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4867121 OBDepict CH 3 O N N NH O N N N OH S S H 3 C N CH 3 IC50 = 1.0 nM 509.62 CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2cccs2)c2cccs2)n3CC)n1 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4848186 OBDepict CH 3 O N N NH O N O N OH H 3 C CH 3 IC50 = 1.0 nM 497.56 CCc1coc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1 Homo sapiens CHEMBL4831472 single protein format
CHEMBL4862805 OBDepict CH 3 O N N N N N N H N OH CH 3 N IC50 = 1.0 nM 428.46 CCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4859117 OBDepict CH 3 O N N N N N N H N OH CH 3 S IC50 = 1.0 nM 433.5 CCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nnn[nH]3)cc21 Homo sapiens CHEMBL4842300 single protein format
CHEMBL4535842 OBDepict CH 3 O O N CH 3 N O H 3 C N H O F F H 3 C IC50 = 1.0 nM 417.41 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cc1OC Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4473187 OBDepict CH 3 O N O N N O H 3 C NH O F F H 3 C IC50 = 1.1 nM 454.43 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cc1-c1ncco1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4463979 OBDepict H 3 C O O N N O CH 3 N H O O IC50 = 2.1 nM 417.42 COC(=O)c1cccc(N2N=C(C)C(C(=O)Nc3cccc(-c4ccco4)c3)C2=O)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4560160 OBDepict F O F N N O CH 3 N H O F F CH 3 IC50 = 2.66 nM 423.37 CC1=NN(c2ccc(OC(F)F)cc2)C(=O)C1C(=O)Nc1cccc(C(C)(F)F)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4548954 OBDepict H 3 C O N N O CH 3 N H O O IC50 = 3.2 nM 389.41 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(-c4ccco4)c3)C2=O)cc1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4476365 OBDepict H 3 C O N N N O CH 3 N H O O IC50 = 3.9 nM 390.4 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(-c4ccco4)c3)C2=O)cn1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4466204 OBDepict O N H H 3 C N O N F F H 3 C IC50 = 4.0 nM 357.36 CC1=NN(c2ccccc2)C(=O)C1C(=O)Nc1cccc(C(C)(F)F)c1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4539904 OBDepict CH 3 O N N O H 3 C N H O F F H 3 C IC50 = 4.5 nM 387.39 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cc1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4437243 OBDepict CH 3 O N N N O H 3 C N H O F F H 3 C IC50 = 5.0 nM 388.37 COc1ccc(N2N=C(C)C(C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cn1 Homo sapiens CHEMBL4368259 cell-based format
CHEMBL4547902 OBDepict CH 3 O N N OH NH O N N N N CH 3 IC50 < 50.0 nM 497.56 CCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4540462 OBDepict F N N NH O N N H 3 C OH IC50 < 50.0 nM 483.55 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CCF)n3)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4532216 OBDepict F N N OH HN O N N N H 3 C IC50 < 50.0 nM 484.54 CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCF)c3c2)n1 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4588601 OBDepict HO N N OH HN O N N N H 3 C IC50 < 50.0 nM 482.54 CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)n1 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4552243 OBDepict CH 3 N N OH N H O N N N CH 3 IC50 < 50.0 nM 466.55 CCn1cnc(C(=O)Nc2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4586967 OBDepict H 3 C O O HN CH 3 O CH 3 O N N H 3 C OH IC50 < 50.0 nM 537.62 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4517819 OBDepict CH 3 N N HO S O O NH 2 IC50 < 50.0 nM 407.5 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4572665 OBDepict CH 3 N H O F F N N H 3 C OH IC50 < 50.0 nM 435.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(=O)NC)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4559213 OBDepict F HO H HN O N N H 3 C OH IC50 < 50.0 nM 447.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](O)CF)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4553501 OBDepict H 3 C N N OH O NH 2 IC50 < 50.0 nM 385.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(N)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4533817 OBDepict F HO H HN O N N H 3 C OH IC50 < 50.0 nM 447.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@H](O)CF)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4589863 OBDepict H 3 C N N HO HN O HO CH 3 H IC50 < 50.0 nM 455.56 CCn1c(C2(O)c3ccccc3CCc3ccccc32)nc2ccc(C(=O)NC[C@@H](C)O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4568014 OBDepict OH F F HO N N H 3 C OH IC50 < 50.0 nM 438.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)CO)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4548021 OBDepict CH 3 N N OH NH O H H OH IC50 < 50.0 nM 469.59 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N[C@@H]3CCC[C@H](O)C3)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4591463 OBDepict CH 3 N N HO S NH O O H 3 C IC50 < 50.0 nM 421.52 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)NC)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4513799 OBDepict F HN O N N CH 3 OH IC50 < 50.0 nM 403.46 Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCF)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4563109 OBDepict F F NH O N N CH 3 OH F F IC50 < 50.0 nM 457.43 Cn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ccc(C(=O)NCC(F)F)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4560902 OBDepict F F NH O N N CH 3 OH IC50 < 50.0 nM 421.45 Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(F)F)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4531442 OBDepict CH 3 O N H O N N CH 3 OH IC50 < 50.0 nM 477.56 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4530223 OBDepict H 3 C N N OH OH F F O O CH 3 IC50 < 50.0 nM 480.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)COC(C)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4573368 OBDepict HO F F N N CH 3 OH IC50 < 50.0 nM 422.48 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(F)(F)CO)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4529914 OBDepict H 3 C N N OH N H O O O CH 3 IC50 < 50.0 nM 443.5 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)COC(C)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4571905 OBDepict N N H O N N H 3 C OH IC50 < 50.0 nM 410.48 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CC#N)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4574689 OBDepict OH N H O N N H 3 C OH IC50 < 50.0 nM 401.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CO)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4551752 OBDepict F HN O N N CH 3 OH F F IC50 < 50.0 nM 439.44 Cn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(=O)NCCF)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4534443 OBDepict H 3 C N N OH HN O F F IC50 < 50.0 nM 435.47 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(F)F)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4520189 OBDepict H 3 C N N OH N H O HN O CH 3 IC50 < 50.0 nM 442.52 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CNC(C)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4483600 OBDepict H 3 C N N OH HN O OH F F IC50 < 50.0 nM 465.5 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(O)C(F)F)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4558209 OBDepict N HN O N N H 3 C OH IC50 < 50.0 nM 410.48 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC#N)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4535583 OBDepict N HN O N N CH 3 OH IC50 < 50.0 nM 424.5 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCC#N)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4517075 OBDepict H 3 C N N F OH HN O HO CH 3 H IC50 < 50.0 nM 447.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)c(F)c21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4526816 OBDepict N CH 3 HN O N N H 3 C OH IC50 < 50.0 nM 438.53 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)C#N)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4533446 OBDepict H 3 C HO N H O N N CH 3 OH IC50 < 50.0 nM 457.57 CCCC(O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4514593 OBDepict N F N N CH 3 OH IC50 < 50.0 nM 385.44 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)c(F)c21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4579255 OBDepict H 3 C N N OH F F O NH 2 IC50 < 50.0 nM 421.45 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(N)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4540016 OBDepict H 3 C HO N H O N N CH 3 OH F F IC50 < 50.0 nM 493.55 CCCC(O)CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)n(CC)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4572741 OBDepict CH 3 OH N H O N N H 3 C OH F F IC50 < 50.0 nM 479.53 CCCC(O)CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)n(C)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4530276 OBDepict H 3 C O HO H HN O N N H 3 C OH IC50 < 50.0 nM 459.55 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](O)COC)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4561477 OBDepict H 3 C O HO H HN O N N H 3 C OH IC50 < 50.0 nM 459.55 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@H](O)COC)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4483440 OBDepict H 3 C HO H N H O N N CH 3 OH IC50 < 50.0 nM 457.57 CCC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4513838 OBDepict HO F F N N CH 3 OH IC50 < 50.0 nM 408.45 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)CO)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4578000 OBDepict F HO HN O N N H 3 C OH IC50 < 50.0 nM 447.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(O)CF)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4534058 OBDepict H 3 C O N H O N N CH 3 OH IC50 = 50.0 nM 429.52 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CCOC)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4583537 OBDepict CH 3 N N OH NH O OH H 3 C H IC50 <= 50.0 nM 429.52 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4541774 OBDepict CH 3 O HN O N N CH 3 OH IC50 = 50.0 nM 415.49 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)COC)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4542511 OBDepict H 3 C O O F F N N CH 3 OH IC50 = 50.0 nM 450.49 CCOC(=O)C(F)(F)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4541120 OBDepict H 3 C N N OH F F HN O OH CH 3 H IC50 = 50.0 nM 479.53 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(=O)NC[C@@H](C)O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4576336 OBDepict CH 3 N N OH NH O F F O NH 2 IC50 = 50.0 nM 478.5 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(F)(F)C(N)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4570964 OBDepict N H 3 C CH 3 HN O N N H 3 C OH IC50 = 50.0 nM 452.56 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)(C)C#N)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4552105 OBDepict H 3 C N N OH HN O F HO CH 3 H IC50 = 50.0 nM 447.51 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)NC[C@@H](C)O)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4523028 OBDepict H 3 C N O HN O N N CH 3 OH IC50 = 50.0 nM 482.58 CCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CC1=O Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4572819 OBDepict O N CH 3 H N H O N N H 3 C OH F F IC50 = 50.0 nM 504.54 CN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)CCC1=O Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4592456 OBDepict F N OH N N H 3 C S O O NH 2 IC50 = 50.0 nM 412.45 Cn1c(C(O)(c2ccccc2)c2ncccc2F)nc2ccc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4591599 OBDepict HO N N OH N H O N O CH 3 IC50 = 50.0 nM 512.61 CCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)CCC1=O Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4517962 OBDepict F HO N N N H 3 C H 3 C S O O NH 2 IC50 = 50.0 nM 426.47 Cc1cccnc1C(O)(c1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2n1C Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4542305 OBDepict F OH N N N H 3 C F S O O NH 2 IC50 = 50.0 nM 430.44 Cn1c(C(O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4579303 OBDepict F F OH N N H 3 C F F S O O NH 2 IC50 = 50.0 nM 465.43 Cn1c(C(O)(c2ccc(F)cc2F)c2ccc(F)cc2F)nc2ccc(S(N)(=O)=O)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4593562 OBDepict H 3 C N N F HO S O O NH 2 IC50 = 50.0 nM 411.46 Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(N)(=O)=O)c(F)c21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4540980 OBDepict CH 3 N O N N H CH 3 O N N H 3 C OH IC50 = 50.0 nM 511.63 CCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)CN(CC)C1=O Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4574195 OBDepict H 3 C N N OH HN O N N HO CH 3 IC50 = 50.0 nM 495.58 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CC(C)O)c3)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4526352 OBDepict H 3 C N N OH HN O N N H 3 C CH 3 IC50 = 50.0 nM 493.61 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CC(C)C)n3)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4557605 OBDepict H 3 C O N N NH O N N CH 3 OH IC50 = 50.0 nM 495.58 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccn(CCOC)n3)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4566852 OBDepict CH 3 N N OH NH O N N H H 3 C IC50 = 50.0 nM 451.53 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3nc(C)c[nH]3)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4527426 OBDepict CH 3 N N OH NH O OH H 3 C H 3 C IC50 = 50.0 nM 443.55 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(C)(C)O)cc21 Homo sapiens CHEMBL4476941 cell-based format
CHEMBL4534971 OBDepict OH HO H HN O N N H 3 C OH IC50 = 50.0 nM 445.52 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](O)CO)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4517398 OBDepict F N N OH N H O OH CH 3 H IC50 = 50.0 nM 447.51 C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCF)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4593692 OBDepict HO N N OH N H O OH CH 3 H IC50 = 50.0 nM 445.52 C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCO)c2c1 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4538445 OBDepict CH 3 N O H N H O N N H 3 C OH F F IC50 = 50.0 nM 532.59 CCN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(CC)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4539438 OBDepict CH 3 N O H N H O N N H 3 C OH IC50 = 50.0 nM 496.61 CCN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4587824 OBDepict CH 3 N O H N H O N N H 3 C OH F F IC50 = 50.0 nM 518.56 CCN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4483466 OBDepict CH 3 N O H N H O N N H 3 C OH IC50 = 50.0 nM 482.58 CCN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4551379 OBDepict O N CH 3 H N H O N N H 3 C OH F F IC50 = 50.0 nM 504.54 CN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4537676 OBDepict H 3 C N N OH F F HN O H N H 3 C O IC50 = 50.0 nM 518.56 CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4537750 OBDepict O N CH 3 H N H O N N H 3 C OH IC50 = 50.0 nM 468.56 CN1C[C@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)CCC1=O Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4520680 OBDepict N F N N H 3 C OH IC50 = 50.0 nM 385.44 CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)C#N)cc21 Homo sapiens CHEMBL4476940 cell-based format
CHEMBL4547185 OBDepict H 3 C N N OH F F O NH 2 IC50 = 50.0 nM 407.42 CCn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(N)=O)cc21 Homo sapiens CHEMBL4476940 cell-based format