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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 = 'BDBM50462505'   
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)		BDBM50462505
PNG
(CHEMBL4243647)
Show SMILES FC(F)(F)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C18H16F3N3O/c19-18(20,21)13-5-7-14(8-6-13)24-17(25)22-10-9-12-11-23-16-4-2-1-3-15(12)16/h1-8,11,23H,9-10H2,(H2,22,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+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