Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50557810
Substrate
n/a
Meas. Tech.
ChEMBL_2060126 (CHEMBL4715127)
IC50
13000±n/a nM
Citation
 Liu, Q; Xiao, HY; Batt, DG; Xiao, Z; Zhu, Y; Yang, MG; Li, N; Yip, S; Li, P; Sun, D; Wu, DR; Ruzanov, M; Sack, JS; Weigelt, CA; Wang, J; Li, S; Shuster, DJ; Xie, JH; Song, Y; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Chacko, S; Khandelwal, P; Dudhgaonkar, S; Rudra, A; Nagar, J; Murali, V; Govindarajan, A; Denton, R; Zhao, Q; Meanwell, NA; Borzilleri, R; Dhar, TGM Azatricyclic Inverse Agonists of ROR?t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. ACS Med Chem Lett 12:827-835 (2021) [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:
BDBM50557810
Synonyms:
CHEMBL4741364
Type:
Small organic molecule
Emp. Form.:
C27H27F8NO6S2
Mol. Mass.:
677.624
SMILES:
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Structure:
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