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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'MKP-3' and Ligand = 'BDBM31758'   
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
MKP-3


(Rattus norvegicus)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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PCBioAssay
n/an/a 7.90E+3n/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
MKP-3


(Rattus norvegicus)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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Article
PCBioAssay
n/an/a 8.00E+3n/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)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q25H7DPX
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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Article
PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-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)


Article DOI: 10.1021/cb400150c
BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DB806H
More data for this
Ligand-Target Pair