HOME LIGAND hPROTEOME OTHERS DOCUMENT

P31153 | METK2_HUMAN | S-adenosylmethionine synthase isoform type-2 (MAT2A)

3D structures mapped by conservation among orthologs

[ Domain: "S-adenosylmethionine synthetase" // S-AdoMet_synt_C ]

download pymol session

[ Domain: "S-adenosylmethionine synthetase" // S-AdoMet_synt_M ]

download pymol session

[ Domain: "S-adenosylmethionine synthetase" // S-AdoMet_synt_N ]

download pymol session

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

download pymol session



[ 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
CHEMBL4521249 OBDepict H N N HN N H O N N N IC50 = 4.0 nM 499.58 O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4552959 OBDepict CH 3 O O N O N HN N H O N N N IC50 = 4.0 nM 569.58 CCOC(=O)c1nnc(Nc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc3ncccc3c2)o1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4558617 OBDepict CH 3 O NH N O N H N N N H IC50 = 5.0 nM 478.56 COc1ccc(-c2c(Nc3cc[nH]n3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4514699 OBDepict OH NH N O N H N N N H IC50 = 7.0 nM 460.5 O=c1c(-c2ccc(O)cc2)c(Nc2cc[nH]n2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4582312 OBDepict H N N HN N H O N N N IC50 = 7.0 nM 495.55 O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4568226 OBDepict CH 3 O NH N O N H N N IC50 = 7.0 nM 485.55 COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4870597 OBDepict CH 3 N H O N N N O O IC50 = 8.0 nM 428.49 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2c(c1)OCO2 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4585665 OBDepict CH 3 O NH N O N H N N O IC50 = 10.0 nM 479.54 COc1ccc(-c2c(Nc3ccon3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4584451 OBDepict CH 3 O N O N HN N H O N N O CH 3 IC50 = 11.0 nM 546.59 CCOC(=O)n1ccc(Nc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc(OC)cc2)n1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4559088 OBDepict CH 3 O NH N O N H N N N H IC50 = 13.0 nM 474.52 COc1ccc(-c2c(Nc3cc[nH]n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4573938 OBDepict CH 3 O NH N O N H N N IC50 = 14.0 nM 489.58 COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4590059 OBDepict H 3 C N H O N N N IC50 = 25.0 nM 432.53 Cc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4529030 OBDepict CH 3 O NH N O N H N N N IC50 = 28.0 nM 490.57 COc1ccc(-c2c(Nc3cnccn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4587880 OBDepict HO H 3 C N O N H N IC50 = 33.0 nM 393.45 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4549681 OBDepict CH 3 N H O N N N N N H IC50 = 45.0 nM 424.51 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2[nH]cnc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4483464 OBDepict H 3 C N H O N N N N IC50 = 52.0 nM 435.53 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4560666 OBDepict HO H 3 C N O N H N N IC50 = 57.0 nM 400.48 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4561247 OBDepict H 3 C N H O N N N IC50 = 66.0 nM 434.54 Cc1[nH]c2c(C3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4582351 OBDepict H 3 C N H O N N N N N H H 2 N IC50 = 83.0 nM 439.52 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2[nH]c(N)nc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4552037 OBDepict H N H 3 C N N O N IC50 = 97.0 nM 428.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4835540 cell-based format
CHEMBL4746079 OBDepict Cl O N N N O N N F F F H 3 C IC50 < 100.0 nM 485.85 Cn1cc2cc(-n3nc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4754086 OBDepict F F O N N N O O N N F F CH 3 IC50 < 100.0 nM 499.42 Cn1cc2cc(-n3nc4ccc(OCC(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4751206 OBDepict CH 3 O N O N N N O N N F F H 3 C IC50 < 100.0 nM 464.43 COc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4762089 OBDepict F O F N O N N O N N F F F CH 3 IC50 < 100.0 nM 531.44 Cn1cc2cc(-n3nc4ccc(OCCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4760483 OBDepict F O F O N N N S N N F F F CH 3 IC50 < 100.0 nM 533.48 Cn1cc2cc(-n3nc4ccc(SCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4754303 OBDepict F F O N N N O O S N F F IC50 < 100.0 nM 502.45 O=c1c(-c2ccc(OC(F)F)cc2)c2nc(OCC(F)F)ccc2nn1-c1ccc2ncsc2c1 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4584948 OBDepict CH 3 O CH 3 N O N H N N F F IC50 < 100.0 nM 436.46 COc1ccc(-c2c(C)[nH]c3c(N4CCC(F)(F)C4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4589913 OBDepict NH 2 N H O N N O CH 3 IC50 < 100.0 nM 426.52 COc1ccc(-c2c(CN)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4562166 OBDepict HO H 3 C N O N CH 3 N S IC50 < 100.0 nM 413.5 Cc1c(-c2ccc(O)cc2)c(=O)n2nc(-c3ccccc3)c(-c3cccs3)c2n1C Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4541968 OBDepict H N N CH 3 N O N H N N IC50 < 100.0 nM 374.45 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cn[nH]c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4541101 OBDepict CH 3 O NH N O N H N N N N IC50 < 100.0 nM 491.56 COc1ccc(-c2c(Nc3cnncn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4553303 OBDepict NH 2 N H O N N N N IC50 < 100.0 nM 448.53 NCc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nccnc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4553671 OBDepict NH 2 HN O N H O N N N IC50 < 100.0 nM 486.54 NC(=O)NCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4571792 OBDepict NH 2 N H O N N HO IC50 < 100.0 nM 408.46 NCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4592315 OBDepict OH F CH 3 N O N H N IC50 < 100.0 nM 411.44 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(F)c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4593982 OBDepict OH Cl CH 3 N O N H N IC50 < 100.0 nM 427.89 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4579407 OBDepict HO H 3 C N O N H N IC50 < 100.0 nM 397.48 Cc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4531174 OBDepict NH 2 N H O N N HO IC50 < 100.0 nM 412.49 NCc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4544969 OBDepict OH N N N O H H 3 C N IC50 < 100.0 nM 444.49 Cc1[nH]c2c(-c3ccccc3)c(-c3ccc(O)cc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4552844 OBDepict H N N N O N IC50 < 100.0 nM 414.47 O=c1c(-c2ccc3ncccc3c2)c[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4521003 OBDepict H N H 3 C N N O N N IC50 < 100.0 nM 429.48 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncncc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4538192 OBDepict OH O N CH 3 N O N H N IC50 < 100.0 nM 472.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nc(C(=O)O)ccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4513363 OBDepict CH 3 N OH CH 3 N O N H N IC50 < 100.0 nM 458.52 Cc1nc2ccc(-c3c(C)[nH]c4c(-c5ccccc5)c(-c5ccccc5)nn4c3=O)cc2cc1O Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4524651 OBDepict CH 3 O O N S CH 3 N O N H N IC50 < 100.0 nM 506.59 COC(=O)Cc1nc2ccc(-c3c(C)[nH]c4c(-c5ccccc5)c(-c5ccccc5)nn4c3=O)cc2s1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4543214 OBDepict CH 3 O N O N OH CH 3 N IC50 < 100.0 nM 437.5 COc1ccc(-c2c(CO)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4553778 OBDepict NH 2 N N N O H H 3 C N IC50 < 100.0 nM 443.51 Cc1[nH]c2c(-c3ccccc3)c(-c3ccc(N)cc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4573575 OBDepict H N N N N O H H 3 C N IC50 < 100.0 nM 417.47 Cc1[nH]c2c(-c3ccccc3)c(-c3cc[nH]c3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4537186 OBDepict NH 2 N S CH 3 N O N H N IC50 < 100.0 nM 463.57 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nc(CN)sc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4541645 OBDepict H 3 C O N N H 3 C N O N H N IC50 < 100.0 nM 459.51 COc1cnc2ccc(-c3c(C)[nH]c4c(-c5ccccc5)c(-c5ccccc5)nn4c3=O)cc2n1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4583242 OBDepict H 3 C N H O N N N N N IC50 < 100.0 nM 436.52 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nccnc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4572654 OBDepict H N CH 3 N N O N N CH 3 IC50 < 100.0 nM 431.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncn(C)c2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4591578 OBDepict O N H O H 3 C N O N H N IC50 < 100.0 nM 448.48 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2c(c1)NC(=O)CO2 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4560542 OBDepict H N H 3 C N N O N H O IC50 < 100.0 nM 434.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2c(c1)NCCO2 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4567813 OBDepict H 3 C O HO H 3 C N O N H N IC50 < 100.0 nM 423.47 COc1cc(-c2c(C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)ccc1O Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4593882 OBDepict OH OH CH 3 N O N H N IC50 < 100.0 nM 409.45 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(O)c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4543341 OBDepict OH O OH CH 3 N O N H N IC50 < 100.0 nM 453.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(OCCO)c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4579701 OBDepict H N N HN N O O F F F N IC50 < 100.0 nM 539.52 O=C(NCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1)C(F)(F)F Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4536430 OBDepict CH 3 O N O N N H H N N N N H IC50 < 100.0 nM 489.54 COc1ccc(-c2c(CNc3nc[nH]n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4562956 OBDepict H 3 C N H O N N N F F IC50 < 100.0 nM 468.51 Cc1[nH]c2c(C3=CCC(F)(F)CC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4516679 OBDepict CH 3 O CH 3 N O N CH 3 N N IC50 < 100.0 nM 428.54 COc1ccc(-c2c(C)n(C)c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4578902 OBDepict CH 3 O NH N O N H N N N N IC50 < 100.0 nM 491.56 COc1ccc(-c2c(Nc3nccnn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4786665 OBDepict F F O N N N O O O F F IC50 < 100.0 nM 487.41 O=c1c(-c2ccc(OC(F)F)cc2)c2nc(OCC(F)F)ccc2nn1-c1ccc2c(c1)CCO2 Homo sapiens CHEMBL4725015 cell-based format
CHEMBL4519357 OBDepict CH 3 O NH N O N H N N N N IC50 < 100.0 nM 515.58 COc1ccc(-c2c(Nc3cnc(C#N)cn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4562374 OBDepict HO N H 3 C N O N H N N IC50 = 100.0 nM 401.47 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)nc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4542083 OBDepict H 2 N H 3 C N O N H N N IC50 = 100.0 nM 399.5 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(N)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4567650 OBDepict H 2 N O H 3 C N O N H N N IC50 = 100.0 nM 427.51 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(C(N)=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4525301 OBDepict CH 3 N H N O N N N IC50 = 100.0 nM 385.47 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccncc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4561650 OBDepict H N H 3 C N N N N O O IC50 = 100.0 nM 393.49 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1N1CCOCC1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4527921 OBDepict H 2 N H 3 C N O N H N N IC50 = 100.0 nM 399.5 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cccc(N)c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4546633 OBDepict CH 3 N H O N N N IC50 = 100.0 nM 376.5 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1C1CCCC1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4522713 OBDepict H N H 3 C N N N O IC50 = 100.0 nM 384.48 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccccc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4530602 OBDepict CH 3 O NH N O N H N IC50 = 100.0 nM 484.56 COc1ccc(-c2c(Nc3ccccc3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4571843 OBDepict CH 3 N H O N N N IC50 = 100.0 nM 348.45 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1C1CC1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4530171 OBDepict CH 3 O HN N O N H N N N NH 2 IC50 < 100.0 nM 505.58 COc1ccc(-c2c(Nc3cnc(N)cn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4574025 OBDepict CH 3 O NH N O N H N N N IC50 < 100.0 nM 486.54 COc1ccc(-c2c(Nc3cccnn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4554590 OBDepict CH 3 O NH N O N H N N IC50 < 100.0 nM 485.55 COc1ccc(-c2c(Nc3cccnc3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4591902 OBDepict CH 3 O NH N O N H N N N IC50 < 100.0 nM 510.56 COc1ccc(-c2c(Nc3ccc(C#N)cn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4525830 OBDepict CH 3 O HN N O N H N N F IC50 < 100.0 nM 503.54 COc1ccc(-c2c(Nc3ccc(F)cn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4514771 OBDepict CH 3 O HN N O N H N N Cl IC50 < 100.0 nM 519.99 COc1ccc(-c2c(Nc3ccc(Cl)cn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4529220 OBDepict CH 3 O NH N O N H N N + N O _ O IC50 < 100.0 nM 530.54 COc1ccc(-c2c(Nc3ccc([N+](=O)[O-])cn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4546944 OBDepict CH 3 N H 3 C N N O N IC50 = 100.0 nM 442.52 Cc1c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1C Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4533028 OBDepict CH 3 O HN N O N H N N OH IC50 < 100.0 nM 501.55 COc1ccc(-c2c(Nc3cc(O)ccn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4569602 OBDepict HO N H 3 C N O N H N N IC50 = 100.0 nM 407.52 Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1N1CCC(O)CC1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4514719 OBDepict CH 3 O N O N CH 3 H N IC50 = 100.0 nM 421.5 CCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OC)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4568635 OBDepict CH 3 O N O N N H H N O NH 2 H H 3 C CH 3 IC50 = 100.0 nM 521.62 COc1ccc(-c2c(CNC(=O)[C@@H](N)C(C)C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4558233 OBDepict CH 3 O N O N N H N N N N IC50 = 100.0 nM 475.51 COc1ccc(-c2c(Cn3ncnn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4521225 OBDepict OH N H O N N N IC50 = 100.0 nM 444.49 O=c1c(-c2ccc3ncccc3c2)c(CO)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4588181 OBDepict H N N N N N O N IC50 = 100.0 nM 494.56 O=c1c(-c2ccc3ncccc3c2)c(Cn2cccn2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4580282 OBDepict H N N N N H O N N N IC50 = 100.0 nM 495.55 O=c1c(-c2ccc3ncccc3c2)c(Cc2ncn[nH]2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4527123 OBDepict H 3 C N H O N N N N F F IC50 = 100.0 nM 457.48 Cc1[nH]c2c(N3CCC(F)(F)C3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4538283 OBDepict O N H N O N H O N N N IC50 = 100.0 nM 526.56 O=C1CN(Cc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc3ncccc3c2)C(=O)N1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4568510 OBDepict CH 3 O N O N O NH 2 H N IC50 = 100.0 nM 436.47 COc1ccc(-c2c(C(N)=O)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4522257 OBDepict CH 3 HN O N H O N N N IC50 = 100.0 nM 471.52 CNC(=O)c1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4583730 OBDepict CH 3 O N O N N H N IC50 = 100.0 nM 418.46 COc1ccc(-c2c(C#N)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4551093 OBDepict CH 3 HN O N H O N N N IC50 = 100.0 nM 485.55 CCC(=O)Nc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4570648 OBDepict CH 3 O NH N O N H N N F IC50 < 100.0 nM 503.54 COc1ccc(-c2c(Nc3cccc(F)n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4561105 OBDepict N N H O N N O CH 3 IC50 = 100.0 nM 432.48 COc1ccc(-c2c(CC#N)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4573526 OBDepict H N H 3 C N N O N NH 2 N IC50 = 100.0 nM 444.5 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncnc(N)c2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4555060 OBDepict H N H 3 C N N O N N IC50 = 100.0 nM 429.48 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nccnc2c1 Homo sapiens CHEMBL4476981 cell-based format
CHEMBL4553872 OBDepict O N CH 3 H 3 C O CH 3 N O N H N IC50 = 100.0 nM 478.55 Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OCC(=O)N(C)C)cc1 Homo sapiens CHEMBL4476981 cell-based format