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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 1' and Ligand = 'BDBM50304609'   
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 1


(Homo sapiens (Human))
BDBM50304609
PNG
(5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60E+5n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50304609
PNG
(5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.68E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry


Bioorg Med Chem 17: 7816-22 (2009)


Article DOI: 10.1016/j.bmc.2009.09.011
BindingDB Entry DOI: 10.7270/Q2ZC82X2
More data for this
Ligand-Target Pair