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Target
Cytochrome P450 2C9
Ligand
BDBM50007093
Substrate
n/a
Meas. Tech.
ChEMBL_1337890 (CHEMBL3240917)
IC50
>50000±n/a nM
Citation
 Lucas, MC; Bhagirath, N; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, PY; Kirchner, S; Kennedy-Smith, JJ; Kuglstatter, A; Lukacs, C; Menke, J; Niu, L; Padilla, F; Peng, Y; Polonchuk, L; Railkar, A; Slade, M; Soth, M; Xu, D; Yadava, P; Yee, C; Zhou, M; Liao, C Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors. J Med Chem 57:2683-91 (2014) [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:
BDBM50007093
Synonyms:
CHEMBL3237564
Type:
Small organic molecule
Emp. Form.:
C19H25N7O
Mol. Mass.:
367.4481
SMILES:
N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r|
Structure:
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