Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50389652
Substrate
n/a
Meas. Tech.
ChEMBL_834171 (CHEMBL2072911)
IC50
>20000±n/a nM
Citation
 Boström, J; Hogner, A; Llinàs, A; Wellner, E; Plowright, AT Oxadiazoles in medicinal chemistry. J Med Chem 55:1817-30 (2012) [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:
BDBM50389652
Synonyms:
CHEMBL1504335
Type:
Small organic molecule
Emp. Form.:
C20H22N4O
Mol. Mass.:
334.4149
SMILES:
C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: