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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 = 'BDBM46208'   
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))
BDBM46208
PNG
((4-amino-3-p-phenetyl-2-thioxo-4-thiazolin-5-yl)-(...)
Show SMILES CCOc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C17H22N4O2S2/c1-3-23-13-6-4-12(5-7-13)21-15(18)14(25-17(21)24)16(22)20-10-8-19(2)9-11-20/h4-7H,3,8-11,18H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

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))
BDBM46208
PNG
((4-amino-3-p-phenetyl-2-thioxo-4-thiazolin-5-yl)-(...)
Show SMILES CCOc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C17H22N4O2S2/c1-3-23-13-6-4-12(5-7-13)21-15(18)14(25-17(21)24)16(22)20-10-8-19(2)9-11-20/h4-7H,3,8-11,18H2,1-2H3
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