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Target
Cytochrome P450 2C9
Ligand
BDBM50444546
Substrate
n/a
Meas. Tech.
ChEMBL_1281755 (CHEMBL3100524)
IC50
8910±n/a nM
Citation
 Tukulula, M; Njoroge, M; Abay, ET; Mugumbate, GC; Wiesner, L; Taylor, D; Gibhard, L; Norman, J; Swart, KJ; Gut, J; Rosenthal, PJ; Barteau, S; Streckfuss, J; Kameni-Tcheudji, J; Chibale, K Synthesis and in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds. ACS Med Chem Lett 4:1198-202 (2013) [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:
BDBM50444546
Synonyms:
CHEMBL2414256
Type:
Small organic molecule
Emp. Form.:
C23H25Cl2N7
Mol. Mass.:
470.398
SMILES:
CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
Structure:
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