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Target
Cytochrome P450 2C9
Ligand
BDBM50053306
Substrate
n/a
Meas. Tech.
ChEMBL_1459304 (CHEMBL3367713)
IC50
1700±n/a nM
Citation
 Laufer, R; Ng, G; Liu, Y; Patel, NK; Edwards, LG; Lang, Y; Li, SW; Feher, M; Awrey, DE; Leung, G; Beletskaya, I; Plotnikova, O; Mason, JM; Hodgson, R; Wei, X; Mao, G; Luo, X; Huang, P; Green, E; Kiarash, R; Lin, DC; Harris-Brandts, M; Ban, F; Nadeem, V; Mak, TW; Pan, GJ; Qiu, W; Chirgadze, NY; Pauls, HW Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides. Bioorg Med Chem 22:4968-97 (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:
BDBM50053306
Synonyms:
CHEMBL3330260
Type:
Small organic molecule
Emp. Form.:
C24H25N5O3S
Mol. Mass.:
463.552
SMILES:
CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Structure:
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