Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50239251
Substrate
n/a
Meas. Tech.
ChEMBL_1665796 (CHEMBL4015592)
IC50
350±n/a nM
Citation
 Yeung, KS; Beno, BR; Parcella, K; Bender, JA; Grant-Young, KA; Nickel, A; Gunaga, P; Anjanappa, P; Bora, RO; Selvakumar, K; Rigat, K; Wang, YK; Liu, M; Lemm, J; Mosure, K; Sheriff, S; Wan, C; Witmer, M; Kish, K; Hanumegowda, U; Zhuo, X; Shu, YZ; Parker, D; Haskell, R; Ng, A; Gao, Q; Colston, E; Raybon, J; Grasela, DM; Santone, K; Gao, M; Meanwell, NA; Sinz, M; Soars, MG; Knipe, JO; Roberts, SB; Kadow, JF Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem 60:4369-4385 (2017) [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:
BDBM50239251
Synonyms:
CHEMBL4096241
Type:
Small organic molecule
Emp. Form.:
C32H26FN3O3
Mol. Mass.:
519.5655
SMILES:
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Structure:
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