BDBM81395 APO-866

SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1

InChI Key InChIKey=KPBNHDGDUADAGP-VAWYXSNFSA-N

Data  2 KI  23 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81395   

TargetCytochrome P450 2C19(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed