Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50019932
Substrate
n/a
Meas. Tech.
ChEMBL_1362557 (CHEMBL3293586)
IC50
19000±n/a nM
Citation
 Kedari, CK; Roy Choudhury, N; Sharma, S; Kaur, P; Guptha, S; Panda, M; Mukerjee, K; Ramachandran, V; Bandodkar, B; Ramachandran, S; Tantry, SJ Biarylmethoxy Nicotinamides As Novel and Specific Inhibitors of Mycobacterium tuberculosis. ACS Med Chem Lett 5:491-5 (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:
BDBM50019932
Synonyms:
CHEMBL3287239
Type:
Small organic molecule
Emp. Form.:
C22H23ClN4O4
Mol. Mass.:
442.895
SMILES:
CC(C)OCCOc1ccc(c(Cl)c1)-c1cnc(COc2ncccc2C(N)=O)nc1
Structure:
Search PDB for entries with ligand similarity: