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BDBM50462469 CHEMBL4243428

SMILES: Clc1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c(Cl)c1

InChI Key: InChIKey=KVYSJUMTEFJPBZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50462469   
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)		BDBM50462469
PNG
(CHEMBL4243428)
Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N4O/c20-13-4-5-17(15(21)12-13)23-19(26)25-10-8-24(9-11-25)18-3-1-2-16-14(18)6-7-22-16/h1-7,12,22H,8-11H2,(H,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+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