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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM223073'   
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
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.76E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair