BDBM50118525 CHEMBL3617092

SMILES CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1

InChI Key InChIKey=XWQCDOISHBZRCV-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 = 50118525   

LigandPNGBDBM50118525(CHEMBL3617092)
Affinity DataIC50: 794nMAssay Description:Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50118525(CHEMBL3617092)
Affinity DataIC50: 631nMAssay 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
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)