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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 = 'BDBM46216'   
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))
BDBM46216
PNG
(MLS-0412043.0001 | [1-[2-(4-fluoranylphenoxy)ethyl...)
Show SMILES Fc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C22H23FN2OS/c23-17-8-10-18(11-9-17)26-15-14-25-16-20(19-6-2-3-7-21(19)25)22(27)24-12-4-1-5-13-24/h2-3,6-11,16H,1,4-5,12-15H2
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>9.90E+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/Q2DB807Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM46216
PNG
(MLS-0412043.0001 | [1-[2-(4-fluoranylphenoxy)ethyl...)
Show SMILES Fc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C22H23FN2OS/c23-17-8-10-18(11-9-17)26-15-14-25-16-20(19-6-2-3-7-21(19)25)22(27)24-12-4-1-5-13-24/h2-3,6-11,16H,1,4-5,12-15H2
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/Q28K77H7
More data for this
Ligand-Target Pair