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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 5' and Ligand = 'BDBM231694'   
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 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Concordia University of Wisconsin



Assay Description
This assay was done with full-length protein (containing both domains), andusing pERK as substrate.


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.28E+4n/an/an/an/an/an/a



Concordia University of Wisconsin



Assay Description
This assay was done with full-length protein (containing both domains), andusing pERK as substrate.


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.25E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.85E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Briefly, assays without and with inhibitors were performed in Greiner 96-well clear bottom plates with a total assay volume of 200 μL. The assay...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.88E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.66E+4n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.21E+5n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+5n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.88E+5n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 5


(Homo sapiens (Human))
BDBM231694
PNG
(1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...)
Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.25E+5n/an/an/an/a7.525



Concordia University of Wisconsin



Assay Description
Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair