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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 = 'BDBM50347725'   
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))
BDBM50347725
PNG
(CHEMBL1802520 | CHEMBL1802521)
Show SMILES OB(O)c1ccc(COc2ccc3Cc4c(O)n(Cc5ccc(F)cc5)c(=O)n4Cc3c2)cc1
Show InChI InChI=1S/C25H22BFN2O5/c27-21-8-3-16(4-9-21)13-29-24(30)23-12-18-5-10-22(11-19(18)14-28(23)25(29)31)34-15-17-1-6-20(7-2-17)26(32)33/h1-11,30,32-33H,12-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50347725
PNG
(CHEMBL1802520 | CHEMBL1802521)
Show SMILES OB(O)c1ccc(COc2ccc3Cc4c(O)n(Cc5ccc(F)cc5)c(=O)n4Cc3c2)cc1
Show InChI InChI=1S/C25H22BFN2O5/c27-21-8-3-16(4-9-21)13-29-24(30)23-12-18-5-10-22(11-19(18)14-28(23)25(29)31)34-15-17-1-6-20(7-2-17)26(32)33/h1-11,30,32-33H,12-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair