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SMILES: CN(C)C(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1

InChI Key: InChIKey=WUPHOHPNXRQNAO-ZWKOTPCHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173932   
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))		BDBM50173932
PNG
(CHEMBL3809727)
Show SMILES CN(C)C(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H26BrN5O2S/c1-31(2)26(34)16-9-10-21-20(14-16)30-24(19-8-3-4-13-28-19)32(21)18-7-5-6-17(15-18)29-25(33)22-11-12-23(27)35-22/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)/t17-,18+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+4n/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