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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 = 'BDBM31728'   
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)
BDBM31728
PNG
(6,8-bis(chloranyl)-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
Show InChI InChI=1S/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

PCBioAssay
n/an/a 5.30E+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
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31728
PNG
(6,8-bis(chloranyl)-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
Show InChI InChI=1S/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 6.35E+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