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Target
Cytochrome P450 2C19
Ligand
BDBM50330736
Substrate
n/a
Meas. Tech.
ChEMBL_685162 (CHEMBL1286978)
IC50
13000±n/a nM
Citation
 Laleu, B; Gaggini, F; Orchard, M; Fioraso-Cartier, L; Cagnon, L; Houngninou-Molango, S; Gradia, A; Duboux, G; Merlot, C; Heitz, F; Szyndralewiez, C; Page, P First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis. J Med Chem 53:7715-30 (2010) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50330736
Synonyms:
4-((benzyl(methyl)amino)methyl)-2-(2-chloro-4-fluorophenyl)-5-(3-methoxypropyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione | CHEMBL1277582
Type:
Small organic molecule
Emp. Form.:
C25H26ClFN4O3
Mol. Mass.:
484.95
SMILES:
COCCCn1c(CN(C)Cc2ccccc2)c2c(cc1=O)[nH]n(-c1ccc(F)cc1Cl)c2=O
Structure:
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