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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 2' and Ligand = 'BDBM50542066'   
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 2


(Homo sapiens (Human))		BDBM50542066
PNG
(CHEMBL4638236)
Show SMILES OC(=O)CCCC(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ncccc21
Show InChI InChI=1S/C22H23N3O3/c26-20(9-4-10-21(27)28)24-13-11-17-18-8-5-12-23-22(18)25(19(17)15-24)14-16-6-2-1-3-7-16/h1-3,5-8,12H,4,9-11,13-15H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs

ACS Med Chem Lett 11: 1335-1341 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00200
BindingDB Entry DOI: 10.7270/Q2DB85D8
More data for this
Ligand-Target Pair