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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 = 'BDBM35417'   
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)
BDBM35417
PNG
(MLS000089222 | N-[3-({[3-(1H-benzimidazol-2-yl)phe...)
Show SMILES O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
Show InChI InChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.50E+3n/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)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35417
PNG
(MLS000089222 | N-[3-({[3-(1H-benzimidazol-2-yl)phe...)
Show SMILES O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
Show InChI InChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair