Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50446755
Substrate
n/a
Meas. Tech.
ChEMBL_1288406 (CHEMBL3118258)
IC50
800±n/a nM
Citation
 Takai, K; Nakajima, T; Takanashi, Y; Sone, T; Nariai, T; Chiyo, N; Nakatani, S; Ishikawa, C; Yamaguchi, N; Fujita, K; Yamada, K Structure-based optimization of cyclopropyl urea derivatives as potent soluble epoxide hydrolase inhibitors for potential decrease of renal injury without hypotensive action. Bioorg Med Chem 22:1548-57 (2014) [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:
BDBM50446755
Synonyms:
CHEMBL3114608
Type:
Small organic molecule
Emp. Form.:
C22H24N6O2
Mol. Mass.:
404.465
SMILES:
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1 |r|
Structure:
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