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SMILES: CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1nccs1

InChI Key: InChIKey=YPDIJJBARZTNBC-LSDHHAIUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173920   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173920
PNG
(CHEMBL3808530)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C23H22BrN5O2S2/c1-25-21(30)13-5-6-17-16(11-13)28-20(23-26-9-10-32-23)29(17)15-4-2-3-14(12-15)27-22(31)18-7-8-19(24)33-18/h5-11,14-15H,2-4,12H2,1H3,(H,25,30)(H,27,31)/t14-,15+/m0/s1
PDB

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PC sid
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Similars
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay 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 ...

ACS Med Chem Lett 7: 379-84 (2016)


BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair