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Target
Cytochrome P450 2C19
Ligand
BDBM50393537
Substrate
n/a
Meas. Tech.
ChEMBL_857200 (CHEMBL2160396)
IC50
>10000±n/a nM
Citation
 Illig, CR; Manthey, CL; Wall, MJ; Meegalla, SK; Chen, J; Wilson, KJ; Ballentine, SK; Desjarlais, RL; Schubert, C; Crysler, CS; Chen, Y; Molloy, CJ; Chaikin, MA; Donatelli, RR; Yurkow, E; Zhou, Z; Player, MR; Tomczuk, BE Optimization of a potent class of arylamide colony-stimulating factor-1 receptor inhibitors leading to anti-inflammatory clinical candidate 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141). J Med Chem 54:7860-83 (2011) [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:
BDBM50393537
Synonyms:
CHEMBL2158223
Type:
Small organic molecule
Emp. Form.:
C25H28N6O
Mol. Mass.:
428.5294
SMILES:
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCC#N)CC1)c1ncc([nH]1)C#N |t:10|
Structure:
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