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BDBM50462533 CHEMBL4244961

SMILES: FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c1

InChI Key: InChIKey=NNCRGYAVDZIXTN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50462533   
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
Aspartate aminotransferase, cytoplasmic


(Homo sapiens)		BDBM50462533
PNG
(CHEMBL4244961)
Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C20H19F3N4O/c21-20(22,23)14-3-1-4-15(13-14)25-19(28)27-11-9-26(10-12-27)18-6-2-5-17-16(18)7-8-24-17/h1-8,13,24H,9-12H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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