Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50531005
Substrate
n/a
Meas. Tech.
ChEMBL_1914333 (CHEMBL4416916)
IC50
>50000±n/a nM
Citation
 Adebesin, AM; Wesser, T; Vijaykumar, J; Konkel, A; Paudyal, MP; Lossie, J; Zhu, C; Westphal, C; Puli, N; Fischer, R; Schunck, WH; Falck, JR Development of Robust 17( J Med Chem 62:10124-10143 (2019) [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:
BDBM50531005
Synonyms:
CHEMBL4473988
Type:
Small organic molecule
Emp. Form.:
C18H32N2O5
Mol. Mass.:
356.4571
SMILES:
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCOCC(O)=O
Structure:
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