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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 = 'BDBM50542068'   
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))		BDBM50542068
PNG
(CHEMBL4648748)
Show SMILES OC(=O)CCCCCC(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ncccc21
Show InChI InChI=1S/C24H27N3O3/c28-22(11-5-2-6-12-23(29)30)26-15-13-19-20-10-7-14-25-24(20)27(21(19)17-26)16-18-8-3-1-4-9-18/h1,3-4,7-10,14H,2,5-6,11-13,15-17H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/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