BDBM50173927 CHEMBL3808902

SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1

InChI Key InChIKey=PGSKODUPOMCUEJ-DLBZAZTESA-N

Data  3 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 3 hits for monomerid = 50173927   

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

Curated by ChEMBL
LigandPNGBDBM50173927(CHEMBL3808902)
Affinity DataIC50:  50.1nMAssay Description:Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...More data for this Ligand-Target Pair
TargetBranched-chain-amino-acid aminotransferase, mitochondrial(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50173927(CHEMBL3808902)
Affinity DataIC50:  50nMAssay Description:Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...More data for this Ligand-Target Pair
TargetBranched-chain-amino-acid aminotransferase, cytosolic(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50173927(CHEMBL3808902)
Affinity DataIC50:  3.98E+3nMAssay Description:Inhibition of BCATc (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed