Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50156458
Substrate
n/a
Meas. Tech.
ChEMBL_306750 (CHEMBL830895)
IC50
>50000±n/a nM
Citation
 Vaz, RJ; Gao, Z; Pribish, J; Chen, X; Levell, J; Davis, L; Albert, E; Brollo, M; Ugolini, A; Cramer, DM; Cairns, J; Sides, K; Liu, F; Kwong, J; Kang, J; Rebello, S; Elliot, M; Lim, H; Chellaraj, V; Singleton, RW; Li, Y Design of bivalent ligands using hydrogen bond linkers: synthesis and evaluation of inhibitors for human beta-tryptase. Bioorg Med Chem Lett 14:6053-6 (2004) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50156458
Synonyms:
3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-carbonyl]-5-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-benzoic acid | CHEMBL188068
Type:
Small organic molecule
Emp. Form.:
C26H23FN4O4S
Mol. Mass.:
506.549
SMILES:
NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(O)=O
Structure:
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