Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50106515
Substrate
n/a
Meas. Tech.
ChEMBL_2048411 (CHEMBL4703110)
IC50
>10000±n/a nM
Citation
 Shaw, SA; Vokits, BP; Dilger, AK; Viet, A; Clark, CG; Abell, LM; Locke, GA; Duke, G; Kopcho, LM; Dongre, A; Gao, J; Krishnakumar, A; Jusuf, S; Khan, J; Spronk, SA; Basso, MD; Zhao, L; Cantor, GH; Onorato, JM; Wexler, RR; Duclos, F; Kick, EK Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg Med Chem 28:0 (2020) [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:
BDBM50106515
Synonyms:
7-Benzyloxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine | CHEMBL333928
Type:
Small organic molecule
Emp. Form.:
C11H10N6O
Mol. Mass.:
242.2367
SMILES:
Nc1nc(OCc2ccccc2)c2[nH]nnc2n1
Structure:
Search PDB for entries with ligand similarity: