Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM296301
Substrate
n/a
Meas. Tech.
ChEBML_1683156
IC50
2500±n/a nM
Citation
 Chrovian, CC; Soyode-Johnson, A; Peterson, AA; Gelin, CF; Deng, X; Dvorak, CA; Carruthers, NI; Lord, B; Fraser, I; Aluisio, L; Coe, KJ; Scott, B; Koudriakova, T; Schoetens, F; Sepassi, K; Gallacher, DJ; Bhattacharya, A; Letavic, MA A Dipolar Cycloaddition Reaction To Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the Discovery Synthesis and Preclinical Profiling of a P2X7 Antagonist Clinical Candidate. J Med Chem 61:207-223 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM296301
Synonyms:
US10112937, Example 404
Type:
Small organic molecule
Emp. Form.:
C19H18ClF3N6O
Mol. Mass.:
438.834
SMILES:
CCn1ccc(n1)-n1nnc2CN([C@@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Structure:
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