BDBM50118629 CHEMBL3617091

SMILES CCc1cc(=O)n2nc(C)c(C#N)c2[nH]1

InChI Key InChIKey=BEASIHRTQREINR-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50118629   

TargetBranched-chain-amino-acid aminotransferase, mitochondrial(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50118629(CHEMBL3617091)
Affinity DataIC50: <6.31E+5nMAssay Description:Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysisMore data for this Ligand-Target Pair
TargetBranched-chain-amino-acid aminotransferase, mitochondrial(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50118629(CHEMBL3617091)
Affinity DataIC50: <6.31E+5nMAssay Description:Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...More data for this Ligand-Target Pair