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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 = 'BDBM46260'   
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))
BDBM46260
PNG
(MLS-0412135.0001 | N,N-diethyl-1-(2-phenoxyethyl)-...)
Show SMILES CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-3-22(4-2)21(24)19-16-23(20-13-9-8-12-18(19)20)14-15-25-17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.25E+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, 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))
BDBM46260
PNG
(MLS-0412135.0001 | N,N-diethyl-1-(2-phenoxyethyl)-...)
Show SMILES CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-3-22(4-2)21(24)19-16-23(20-13-9-8-12-18(19)20)14-15-25-17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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