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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, mitochondrial' and Ligand = 'BDBM50162499'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50162499
PNG
(CHEMBL3793205)
Show SMILES O=C(Nc1cncnc1)c1ccccc1
Show InChI InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)