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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aspartate aminotransferase, cytoplasmic' and Ligand = 'BDBM50462468'   
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
Aspartate aminotransferase, cytoplasmic


(Homo sapiens)
BDBM50462468
PNG
(CHEMBL4249221)
Show SMILES Clc1cccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C19H19ClN4O/c20-14-3-1-4-15(13-14)22-19(25)24-11-9-23(10-12-24)18-6-2-5-17-16(18)7-8-21-17/h1-8,13,21H,9-12H2,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



California Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay


Bioorg Med Chem Lett 28: 2675-2678 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.061
BindingDB Entry DOI: 10.7270/Q2MC92P6
More data for this
Ligand-Target Pair