Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50185915
Substrate
n/a
Meas. Tech.
ChEMBL_351820 (CHEMBL867803)
IC50
>10000±n/a nM
Citation
 Ghosh, S; Elder, A; Guo, J; Mani, U; Patane, M; Carson, K; Ye, Q; Bennett, R; Chi, S; Jenkins, T; Guan, B; Kolbeck, R; Smith, S; Zhang, C; LaRosa, G; Jaffee, B; Yang, H; Eddy, P; Lu, C; Uttamsingh, V; Horlick, R; Harriman, G; Flynn, D Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem 49:2669-72 (2006) [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:
BDBM50185915
Synonyms:
1-(4-chloro-phenyl)-cyclohexanecarboxylic acid {1-[3-(2-methoxy-phenoxy)-benzyl]-piperidin-4-yl}-amide | CHEMBL205457
Type:
Small organic molecule
Emp. Form.:
C32H37ClN2O3
Mol. Mass.:
533.101
SMILES:
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1
Structure:
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