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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 3' and Ligand = 'BDBM50504116'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3


(Homo sapiens (Human))		BDBM50504116
PNG
(CHEMBL4473374)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(=O)(=O)c3ccc(cc3)C(C)(C)C)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C48H51NO8S3/c1-47(2,3)35-14-23-40(24-15-35)59(51,52)56-38-20-12-34(13-21-38)46-44(45(50)33-10-18-37(19-11-33)55-31-30-49-28-8-7-9-29-49)42-27-22-39(32-43(42)58-46)57-60(53,54)41-25-16-36(17-26-41)48(4,5)6/h10-27,32H,7-9,28-31H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human NPP3 expressed in COS-7 cell membranes assessed as reduction in p-nitrophenol production using pNP-TMP as substrate preincubated ...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.063
BindingDB Entry DOI: 10.7270/Q2B85CD9
More data for this
Ligand-Target Pair