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SMILES: Cc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1

InChI Key: InChIKey=ANDPRRPLKHWEBW-ZWKOTPCHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173915   
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))		BDBM50173915
PNG
(CHEMBL3809792)
Show SMILES Cc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1 |r|
Show InChI InChI=1S/C25H25N5O2S/c1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19/h2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32)/t17-,18+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.26E+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