BDBM50118578 CHEMBL3617094

SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1

InChI Key InChIKey=WMUCQGGTSRVMIG-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50118578   

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

Curated by ChEMBL

LigandBDBM50118578(CHEMBL3617094)Copy SMILESCopy InChI

Affinity DataIC50:  79nMAssay 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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetBranched-chain-amino-acid aminotransferase, mitochondrial(Human)
Glaxosmithkline

Curated by ChEMBL

LigandBDBM50118578(CHEMBL3617094)Copy SMILESCopy InChI

Affinity DataIC50:  631nMAssay 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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL