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Target
Cytochrome P450 2C9
Ligand
BDBM50383714
Substrate
n/a
Meas. Tech.
ChEMBL_819264 (CHEMBL2032621)
IC50
>50000±n/a nM
Citation
 Koltun, ES; Tsuhako, AL; Brown, DS; Aay, N; Arcalas, A; Chan, V; Du, H; Engst, S; Ferguson, K; Franzini, M; Galan, A; Holst, CR; Huang, P; Kane, B; Kim, MH; Li, J; Markby, D; Mohan, M; Noson, K; Plonowski, A; Richards, SJ; Robertson, S; Shaw, K; Stott, G; Stout, TJ; Young, J; Yu, P; Zaharia, CA; Zhang, W; Zhou, P; Nuss, JM; Xu, W; Kearney, PC Discovery of XL413, a potent and selective CDC7 inhibitor. Bioorg Med Chem Lett 22:3727-31 (2012) [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:
BDBM50383714
Synonyms:
CHEMBL2030402
Type:
Small organic molecule
Emp. Form.:
C14H12ClN3O2
Mol. Mass.:
289.717
SMILES:
Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r|
Structure:
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