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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM325558'   
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))
BDBM325558
PNG
(6-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido...)
Show SMILES OC(=O)CCCCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-3-5-16(13-17)14-27-20-15-26(21(28)8-1-2-9-22(29)30)12-10-18(20)19-7-4-11-25-23(19)27/h3-7,11,13H,1-2,8-10,12,14-15H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM325558
PNG
(6-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido...)
Show SMILES OC(=O)CCCCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-3-5-16(13-17)14-27-20-15-26(21(28)8-1-2-9-22(29)30)12-10-18(20)19-7-4-11-25-23(19)27/h3-7,11,13H,1-2,8-10,12,14-15H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)


BindingDB Entry DOI: 10.7270/Q2T72KH0
More data for this
Ligand-Target Pair