Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM244144
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>50000±n/a nM
Citation
 Kuduk, SD; Cox, CD; Dudkin, VY; McVean, CA; Reger, TS; Steen, JT Secondary alcohol substituted triazoles as PDE10 inhibitors US Patent  US9428492 Publication Date 8/30/2016 
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:
BDBM244144
Synonyms:
US9428492, 14
Type:
Small organic molecule
Emp. Form.:
C21H23N7O
Mol. Mass.:
389.4536
SMILES:
C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Structure:
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