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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM46232'   
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
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28K77H7
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair