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Target
Cytochrome P450 2C8
Ligand
BDBM50042590
Substrate
n/a
Meas. Tech.
ChEMBL_1444463 (CHEMBL3373571)
IC50
3100±n/a nM
Citation
 Riether, D; Zindell, R; Wu, L; Betageri, R; Jenkins, JE; Khor, S; Berry, AK; Hickey, ER; Ermann, M; Albrecht, C; Ceci, A; Gemkow, MJ; Nagaraja, NV; Romig, H; Sauer, A; Thomson, DS Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds. Bioorg Med Chem Lett 25:581-6 (2015) [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:
BDBM50042590
Synonyms:
CHEMBL3353863
Type:
Small organic molecule
Emp. Form.:
C18H22ClN3O2
Mol. Mass.:
347.839
SMILES:
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r|
Structure:
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