Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50563973
Substrate
n/a
Meas. Tech.
ChEMBL_2085993 (CHEMBL4767256)
IC50
8600±n/a nM
Citation
 Gilmore, JL; Xiao, HY; Dhar, TGM; Yang, MG; Xiao, Z; Xie, J; Lehman-McKeeman, LD; Gong, L; Sun, H; Lecureux, L; Chen, C; Wu, DR; Dabros, M; Yang, X; Taylor, TL; Zhou, XD; Heimrich, EM; Thomas, R; McIntyre, KW; Borowski, V; Warrack, BM; Li, Y; Shi, H; Levesque, PC; Yang, Z; Marino, AM; Cornelius, G; D'Arienzo, CJ; Mathur, A; Rampulla, R; Gupta, A; Pragalathan, B; Shen, DR; Cvijic, ME; Salter-Cid, LM; Carter, PH; Dyckman, AJ Identification and Preclinical Pharmacology of ((1 R,3 S)-1-Amino-3-(( S)-6-(2-methoxyphenethyl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol (BMS-986166): A Differentiated Sphingosine-1-phosphate Receptor 1 (S1P J Med Chem 62:2265-2285 (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:
BDBM50563973
Synonyms:
Bms-986166
Type:
Small organic molecule
Emp. Form.:
C25H33NO2
Mol. Mass.:
379.535
SMILES:
COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|
Structure:
Search PDB for entries with ligand similarity: