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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Low molecular weight phosphotyrosine protein phosphatase' and Ligand = 'BDBM50225'   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50225
PNG
(1-(4-Chloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]thiad...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10ClN5OS/c15-10-1-3-11(4-2-10)17-13(21)18-14-20-19-12(22-14)9-5-7-16-8-6-9/h1-8H,(H2,17,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50225
PNG
(1-(4-Chloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]thiad...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10ClN5OS/c15-10-1-3-11(4-2-10)17-13(21)18-14-20-19-12(22-14)9-5-7-16-8-6-9/h1-8H,(H2,17,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair