HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9UNQ0 | ABCG2_HUMAN | Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2)

3D structures mapped by conservation among orthologs

[ Domain: "ABCG5/ABCG8 transmembrane domain" // ABC2_membrane ]

download pymol session

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // ABC_tran ]

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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4633247 OBDepict H 3 C O N H H N H O NH H 3 C CH 3 O H O O H 3 C CH 3 H 3 C IC50 = 4.62 nM 469.58 COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC(=O)[C@@H]1C3 Homo sapiens CHEMBL4629506 cell-based format
CHEMBL3110296 OBDepict CH 3 O N H N H O O O O Br IC50 = 10.0 nM 547.41 COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4ccc(OCc5ccc(Br)cc5)cc4o3)c2c1 Homo sapiens CHEMBL3111894 cell-based format
CHEMBL139702 OBDepict CH 2 H 3 C CH 3 OH O H 3 C O HO IC50 = 18.75 nM 338.4 C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O Homo sapiens CHEMBL4629508 cell-based format
CHEMBL4172752 OBDepict CH 3 O N N N H + N F O _ O IC50 = 23.4 nM 390.37 COc1cccc(-c2nc(Nc3cccc(F)c3)c3cc([N+](=O)[O-])ccc3n2)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4168022 OBDepict OH N H N N + N O _ O F F F IC50 = 27.6 nM 426.35 O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)nc(Nc3cccc(O)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4163310 OBDepict CH 3 O N N HN + N O _ O N IC50 = 27.8 nM 397.39 COc1cccc(-c2nc(Nc3ccc(C#N)cc3)c3cc([N+](=O)[O-])ccc3n2)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4167856 OBDepict CH 3 O O N H CH 3 N N + N O _ O F F F IC50 = 30.2 nM 470.41 COc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)cc1OC Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4166754 OBDepict _ O + N O N N H N + N HO O _ O F F F IC50 = 33.0 nM 471.35 O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)nc(Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4160408 OBDepict CH 3 O N H N N + N O _ O IC50 = 33.1 nM 372.38 COc1cccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4171017 OBDepict CH 3 O O NH H 3 C N N + N O _ O IC50 = 37.0 nM 402.41 COc1ccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)cc1OC Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4163063 OBDepict _ O + N O N NH N + N OH O _ O IC50 = 37.4 nM 403.35 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4171213 OBDepict CH 3 N H O N H N N + N O _ O F F F IC50 = 44.8 nM 467.41 CC(=O)Nc1cccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4164420 OBDepict F N H N N + N O _ O F F F IC50 = 44.8 nM 428.35 O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)nc(Nc3cccc(F)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4174412 OBDepict CH 3 O N H N N + N N O _ O IC50 = 47.0 nM 373.37 COc1cccc(Nc2nc(-c3cccnc3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4160529 OBDepict CH 3 O O H 3 C N N N H O Br CH 3 IC50 = 47.5 nM 466.34 COc1cc(Nc2nc(-c3ccc(OC)c(OC)c3)nc3ccccc23)ccc1Br Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4174458 OBDepict N N H N N + N O _ O IC50 = 48.1 nM 367.37 N#Cc1ccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)cc1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4163784 OBDepict N N H N N + N O _ O IC50 = 48.2 nM 367.37 N#Cc1cccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4164189 OBDepict _ O + N O N N H N F F F IC50 = 49.1 nM 410.36 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3cccc(C(F)(F)F)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4172063 OBDepict F N H N N + N O _ O IC50 = 51.5 nM 360.35 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3cccc(F)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4765062 OBDepict CH 3 N N H N + N O _ O IC50 = 52.2 nM 306.33 Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL4456005 OBDepict O NH N + N O _ O N IC50 = 54.5 nM 370.37 O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL4328822 cell-based format
CHEMBL4165918 OBDepict CH 3 O O NH H 3 C N N + N O _ O IC50 = 55.6 nM 402.41 COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1OC Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4164845 OBDepict CH 3 O O CH 3 N N HN + N O _ O F F F IC50 = 57.2 nM 470.41 COc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3cc([N+](=O)[O-])ccc3n2)cc1OC Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4174809 OBDepict CH 3 O HN N N + N N O _ O IC50 = 57.7 nM 373.37 COc1ccc(Nc2nc(-c3cccnc3)nc3ccc([N+](=O)[O-])cc23)cc1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4755555 OBDepict CH 3 N N H N Cl + N O _ O IC50 = 58.9 nM 340.77 Cc1cc(Nc2ccc([N+](=O)[O-])c(Cl)c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL4175885 OBDepict CH 3 O N H N N + N O _ O F F F IC50 = 59.0 nM 440.38 COc1cccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4167604 OBDepict _ O + N O N N H N F F F IC50 = 59.6 nM 410.36 O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)nc(Nc3ccccc3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4174654 OBDepict _ O + N O N N H N + N F F F O _ O IC50 = 61.4 nM 455.35 O=[N+]([O-])c1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)cc1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4202709 OBDepict CH 3 O HN O N N N N N O H 3 C IC50 = 61.6 nM 402.41 COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)nc3)n2)cc1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4159686 OBDepict N N H N N + N O _ O N IC50 = 63.8 nM 368.36 N#Cc1cccc(Nc2nc(-c3ccncc3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4075328 OBDepict _ O + N O N H N N N IC50 = 64.1 nM 343.35 O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3426401 OBDepict H 3 C N N N N NH O O CH 3 IC50 = 64.2 nM 413.48 CCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4170623 OBDepict OH N H N N + N O _ O IC50 = 65.3 nM 358.36 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3cccc(O)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4175064 OBDepict _ O + N O N N H N + N O _ O F F F IC50 = 66.3 nM 455.35 O=[N+]([O-])c1cccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL3884089 OBDepict O NH N N N N IC50 = 66.9 nM 341.37 O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccccc1 Homo sapiens CHEMBL3875845 cell-based format
CHEMBL4166863 OBDepict CH 3 O N N N H + N O _ O IC50 = 68.0 nM 372.38 COc1cccc(-c2nc(Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4756938 OBDepict N F F F N H N CH 3 N IC50 = 69.3 nM 354.34 Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL4088022 OBDepict N N H N N IC50 = 71.4 nM 322.37 N#Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3426399 OBDepict H 3 C O NH O N N N N F F F IC50 = 73.0 nM 439.4 COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4164155 OBDepict CH 3 O N H N N + N O _ O N IC50 = 75.5 nM 373.37 COc1ccc(Nc2nc(-c3ccncc3)nc3ccc([N+](=O)[O-])cc23)cc1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4205898 OBDepict CH 3 O NH N N N N O O F F F CH 3 IC50 = 77.4 nM 469.42 COc1ccc(-n2nnc(-c3cc(OC)ccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4170981 OBDepict CH 3 N H O N H N N + N O _ O IC50 = 78.7 nM 399.41 CC(=O)Nc1cccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL3426387 OBDepict H 3 C O N N N N NH O + N O _ O IC50 = 78.9 nM 416.4 COc1cccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL3426402 OBDepict H 3 C NH O N N N N O CH 3 IC50 = 79.4 nM 413.48 CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4069582 OBDepict _ O + N O OH N H N N IC50 = 81.1 nM 358.36 O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O Homo sapiens CHEMBL4015695 cell-based format
CHEMBL4164537 OBDepict H 3 C O O N H CH 3 N N + N O _ O IC50 = 86.7 nM 402.41 COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1OC Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4161193 OBDepict CH 3 S N H N N + N O _ O IC50 = 88.6 nM 388.45 CSc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4210872 OBDepict CH 3 O N O N NH O F F F IC50 = 90.0 nM 439.39 COc1ccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)o2)cc1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL3092485 OBDepict CH 3 O O CH 3 N N N H + N O _ O IC50 = 92.0 nM 402.41 COc1ccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1OC Homo sapiens CHEMBL3096292 cell-based format
CHEMBL4582715 OBDepict O NH N + N N O _ O IC50 = 93.1 nM 370.37 O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4328822 cell-based format
CHEMBL4751863 OBDepict N H 3 C N H N CH 3 N IC50 = 93.5 nM 300.37 Cc1cc(Nc2ccc(C#N)c(C)c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL4168440 OBDepict CH 3 S NH N N + N O _ O IC50 = 94.8 nM 388.45 CSc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4792783 OBDepict N HN N N H N IC50 = 96.0 nM 405.51 N#Cc1ccc(Nc2cc(NCCCc3ccccc3)nc(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4713554 cell-based format
CHEMBL4088963 OBDepict CH 3 N N H N + N HO O _ O IC50 = 98.8 nM 322.32 Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3426384 OBDepict CH 3 N N N N NH O + N O _ O IC50 = 100.0 nM 400.4 Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4159937 OBDepict CH 3 S N H N N + N O _ O F F F IC50 = 101.0 nM 456.45 CSc1cccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4206410 OBDepict H 3 C O N N N N N HN O IC50 = 102.0 nM 372.39 COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cn1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4098723 OBDepict _ O + N O N H N N N IC50 = 105.0 nM 343.35 O=[N+]([O-])c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3426395 OBDepict CH 3 O N N N N NH O F F F IC50 = 106.0 nM 439.4 COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4159327 OBDepict _ O + N O N N H N IC50 = 106.0 nM 342.36 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3ccccc3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4163316 OBDepict H 3 C O N H N N + N O _ O IC50 = 107.0 nM 372.38 COc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4089579 OBDepict N N H N N N IC50 = 108.0 nM 323.36 N#Cc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL4176120 OBDepict _ O + N O N N N H IC50 = 108.0 nM 342.36 O=[N+]([O-])c1cccc(-c2nc(Nc3ccccc3)c3ccccc3n2)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4758272 OBDepict H 3 C NH N O N N O O N IC50 = 109.0 nM 443.51 Cc1ccc(-c2cn(CCN3CCCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 Homo sapiens CHEMBL4734584 cell-based format
CHEMBL2011288 OBDepict CH 3 O N H NH O O O O Br IC50 = 110.0 nM 547.41 COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Homo sapiens CHEMBL2014643 cell-based format
CHEMBL2170116 OBDepict O NH N O N IC50 = 112.0 nM 341.37 O=C(Nc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4082228 OBDepict _ O + N O N H N N N IC50 = 117.0 nM 343.35 O=[N+]([O-])c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3426398 OBDepict H 3 C O N N N N HN O O O H 3 C CH 3 IC50 = 117.0 nM 431.45 COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL3426388 OBDepict H 3 C O N N N N HN O + N O _ O IC50 = 118.0 nM 416.4 COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4756383 OBDepict N Br N H N CH 3 N IC50 = 119.0 nM 365.23 Cc1cc(Nc2ccc(C#N)c(Br)c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL4162699 OBDepict _ O + N O N N H N OH HO IC50 = 119.0 nM 374.36 O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3ccc(O)c(O)c3)c2c1 Homo sapiens CHEMBL4151582 cell-based format
CHEMBL4169350 OBDepict N N H N N + N O _ O IC50 = 120.0 nM 367.37 N#Cc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4176534 OBDepict CH 3 O NH N N + N O _ O IC50 = 121.0 nM 372.38 COc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4096657 OBDepict N N H N CH 3 N IC50 = 122.0 nM 286.34 Cc1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3884853 OBDepict O HN + N O _ O N N N N IC50 = 127.0 nM 386.37 O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3875845 cell-based format
CHEMBL4172917 OBDepict CH 3 HN O N H N N + N O _ O IC50 = 127.0 nM 399.41 CC(=O)Nc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL4069428 OBDepict N N H N CH 3 N IC50 = 128.0 nM 286.34 Cc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL4205357 OBDepict CH 3 O HN N N N N O + N O O _ O H 3 C IC50 = 129.0 nM 446.42 COc1ccc(-n2nnc(-c3cc(OC)ccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4217602 OBDepict CH 3 O N N N N N NH O F F F IC50 = 130.0 nM 440.39 COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cn1 Homo sapiens CHEMBL4196462 cell-based format
CHEMBL4785864 OBDepict CH 3 N N H N + N O _ O IC50 = 130.0 nM 306.33 Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728724 cell-based format
CHEMBL118812 OBDepict _ O + N O N H N N IC50 = 130.0 nM 342.36 O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 Homo sapiens CHEMBL2162314 cell-based format
CHEMBL4096318 OBDepict H 3 C NH O N N N N O CH 3 IC50 = 131.0 nM 413.48 CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3cccc(OC)c3)n2)cc1 Homo sapiens CHEMBL4047181 cell-based format
CHEMBL3885364 OBDepict CH 3 O HN O N N N N S H 3 C IC50 = 132.0 nM 417.49 COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(SC)cc3)n2)cc1 Homo sapiens CHEMBL3875845 cell-based format
CHEMBL4083108 OBDepict N N H N CH 3 N N IC50 = 132.0 nM 287.33 Cc1cc(Nc2cccc(C#N)c2)nc(-c2ccncc2)n1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL4761715 OBDepict N N H N NH N N IC50 = 133.0 nM 388.43 N#Cc1ccc(Nc2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4713554 cell-based format
CHEMBL4059784 OBDepict N N H N N N IC50 = 134.0 nM 323.36 N#Cc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 Homo sapiens CHEMBL4015695 cell-based format
CHEMBL3885031 OBDepict H 3 C O NH O N N N N H 3 C CH 3 IC50 = 136.0 nM 413.48 COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(C)C)cc3)n2)cc1 Homo sapiens CHEMBL3875845 cell-based format
CHEMBL3426391 OBDepict CH 3 N N N N NH O F F F IC50 = 137.0 nM 423.4 Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 Homo sapiens CHEMBL3430265 cell-based format
CHEMBL4176228 OBDepict CH 3 O N N N H + N O _ O IC50 = 139.0 nM 372.38 COc1cccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)c1 Homo sapiens CHEMBL4132958 cell-based format
CHEMBL2158558 OBDepict N N H N N IC50 = 140.0 nM 322.37 N#Cc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 Homo sapiens CHEMBL2162314 cell-based format
CHEMBL3092490 OBDepict CH 3 O O H 3 C N N N H HO IC50 = 140.0 nM 373.41 COc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1OC Homo sapiens CHEMBL3096293 cell-based format
CHEMBL4797053 OBDepict CH 3 O O N H Br O O O IC50 = 140.0 nM 402.2 COC(=O)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1 Homo sapiens CHEMBL4734584 cell-based format
CHEMBL4747679 OBDepict H 3 C NH N HN N N IC50 = 141.0 nM 301.35 CNc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4713554 cell-based format
CHEMBL4060577 OBDepict CH 3 O F F F HN N N N IC50 = 146.0 nM 396.37 COc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1C(F)(F)F Homo sapiens CHEMBL4015695 cell-based format
CHEMBL4752426 OBDepict N NH N N H N IC50 = 147.0 nM 419.53 N#Cc1ccc(Nc2cc(NCCCCc3ccccc3)nc(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4713554 cell-based format
CHEMBL4072482 OBDepict N H N N N IC50 = 149.0 nM 298.35 c1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1 Homo sapiens CHEMBL4048736 cell-based format
CHEMBL3885022 OBDepict O HN + N N N O _ O N N IC50 = 150.0 nM 386.37 O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL3875845 cell-based format
CHEMBL4070627 OBDepict CH 3 O NH N N N IC50 = 150.0 nM 328.38 COc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 Homo sapiens CHEMBL4048736 cell-based format
CHEMBL1360562 OBDepict OH N H N N IC50 = 150.0 nM 313.36 Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 Homo sapiens CHEMBL3096293 cell-based format
CHEMBL4754885 OBDepict CH 3 N N H N N IC50 = 151.0 nM 312.38 Cc1cc(Nc2ccc3ncccc3c2)nc(-c2ccccc2)n1 Homo sapiens CHEMBL4728726 cell-based format