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Target
Cytochrome P450 3A4
Ligand
BDBM50505052
Substrate
n/a
Meas. Tech.
ChEMBL_1817349 (CHEMBL4317009)
IC50
3800±n/a nM
Citation
 Wang, X; Blackaby, W; Allen, V; Chan, GKY; Chang, JH; Chiang, PC; Dične, C; Drummond, J; Do, S; Fan, E; Harstad, EB; Hodges, A; Hu, H; Jia, W; Kofie, W; Kolesnikov, A; Lyssikatos, JP; Ly, J; Matteucci, M; Moffat, JG; Munugalavadla, V; Murray, J; Nash, D; Noland, CL; Del Rosario, G; Ross, L; Rouse, C; Sharpe, A; Slaga, D; Sun, M; Tsui, V; Wallweber, H; Yu, SF; Ebens, AJ Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J Med Chem 62:2140-2153 (2019) [PubMed]  Article
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50505052
Synonyms:
CHEMBL3623150
Type:
Small organic molecule
Emp. Form.:
C20H21F4N7OS
Mol. Mass.:
483.486
SMILES:
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
Structure:
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