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Target
Cytochrome P450 3A4
Ligand
BDBM50016941
Substrate
n/a
Meas. Tech.
ChEMBL_1363166 (CHEMBL3293881)
IC50
>10000±n/a nM
Citation
 Methot, JL; Hoffman, DM; Witter, DJ; Stanton, MG; Harrington, P; Hamblett, C; Siliphaivanh, P; Wilson, K; Hubbs, J; Heidebrecht, R; Kral, AM; Ozerova, N; Fleming, JC; Wang, H; Szewczak, AA; Middleton, RE; Hughes, B; Cruz, JC; Haines, BB; Chenard, M; Kenific, CM; Harsch, A; Secrist, JP; Miller, TA Delayed and Prolonged Histone Hyperacetylation with a Selective HDAC1/HDAC2 Inhibitor. ACS Med Chem Lett 5:340-5 (2014) [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:
BDBM50016941
Synonyms:
CHEMBL3286732
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3S
Mol. Mass.:
449.525
SMILES:
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1
Structure:
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