Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50183075
Substrate
n/a
Meas. Tech.
ChEMBL_350783 (CHEMBL869681)
IC50
>100000±n/a nM
Citation
 Lafite, P; Dijols, S; Buisson, D; Macherey, AC; Zeldin, DC; Dansette, PM; Mansuy, D Design and synthesis of selective, high-affinity inhibitors of human cytochrome P450 2J2. Bioorg Med Chem Lett 16:2777-80 (2006) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C8
Synonyms:
CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase
Type:
Protein
Mol. Mass.:
55839.23
Organism:
Homo sapiens (Human)
Description:
P10632
Residue:
490
Sequence:
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV
  
Inhibitor
Name:
BDBM50183075
Synonyms:
1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one | CHEMBL207831
Type:
Small organic molecule
Emp. Form.:
C31H35NO2
Mol. Mass.:
453.6151
SMILES:
OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: