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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 6' and Ligand = 'BDBM31761'   
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 6


(Rattus norvegicus)
BDBM31761
PNG
(6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...)
Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.22E+4n/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, CA...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25H7DPX
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31761
PNG
(6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...)
Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.87E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N87841
More data for this
Ligand-Target Pair