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Target
Cytochrome P450 3A4
Ligand
BDBM50292982
Substrate
n/a
Meas. Tech.
ChEMBL_495542 (CHEMBL996821)
IC50
29000±n/a nM
Citation
 Westaway, SM; Brown, SL; Fell, SC; Johnson, CN; MacPherson, DT; Mitchell, DJ; Myatt, JW; Stanway, SJ; Seal, JT; Stemp, G; Thompson, M; Lawless, K; McKay, F; Muir, AI; Barford, JM; Cluff, C; Mahmood, SR; Matthews, KL; Mohamed, S; Smith, B; Stevens, AJ; Bolton, VJ; Jarvie, EM; Sanger, GJ Discovery of N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (GSK962040), the first small molecule motilin receptor agonist clinical candidate. J Med Chem 52:1180-9 (2009) [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:
BDBM50292982
Synonyms:
CHEMBL523933 | N-(3-Fluorophenyl)-1-[(4-([(3R)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine
Type:
Small organic molecule
Emp. Form.:
C25H33FN4O
Mol. Mass.:
424.5541
SMILES:
C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|
Structure:
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