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BDBM50173988 CHEMBL3809941

SMILES: CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cnc(Br)s3)c(nc2c1)-c1ccccn1

InChI Key: InChIKey=BWCYVQCGLYVWLO-JKSUJKDBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173988   
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))		BDBM50173988
PNG
(CHEMBL3809941)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cnc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H23BrN6O2S/c1-26-22(32)14-8-9-19-18(11-14)30-21(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)29-23(33)20-13-28-24(25)34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,29,33)/t15-,16+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.16E+3n/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