BDBM50118522 CHEMBL3617078

SMILES CCCC1=CC(=O)n2c(c(c(n2)NCc3c(cc(cc3F)Cl)F)C#N)N1

InChI Key InChIKey=SFUVDTPAOHEGCQ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118522   

LigandPNGBDBM50118522(CHEMBL3617078)
Affinity DataIC50: 158nMAssay 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
PubMed
LigandPNGBDBM50118522(CHEMBL3617078)
Affinity DataIC50: 50nMAssay 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
PubMed
LigandPNGBDBM50118522(CHEMBL3617078)
Affinity DataIC50: 251nMAssay Description:Inhibition of BCATc (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)