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Target
Cytochrome P450 3A4
Ligand
BDBM50011314
Substrate
n/a
Meas. Tech.
ChEMBL_1352209 (CHEMBL3268565)
IC50
6800±n/a nM
Citation
 Ellsworth, BA; Sher, PM; Wu, X; Wu, G; Sulsky, RB; Gu, Z; Murugesan, N; Zhu, Y; Yu, G; Sitkoff, DF; Carlson, KE; Kang, L; Yang, Y; Lee, N; Baska, RA; Keim, WJ; Cullen, MJ; Azzara, AV; Zuvich, E; Thomas, MA; Rohrbach, KW; Devenny, JJ; Godonis, HE; Harvey, SJ; Murphy, BJ; Everlof, GG; Stetsko, PI; Gudmundsson, O; Johnghar, S; Ranasinghe, A; Behnia, K; Pelleymounter, MA; Ewing, WR Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties. J Med Chem 56:9586-600 (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:
BDBM50011314
Synonyms:
CHEMBL3260741
Type:
Small organic molecule
Emp. Form.:
C25H18ClF3N6O2
Mol. Mass.:
526.898
SMILES:
Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F
Structure:
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