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2 similar compounds to monomer 50195856

Compile data set for download or QSAR
Wt: 174.1
BDBM24777
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Wt: 190.1
BDBM50060898
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 24777,50060898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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PubMed
n/an/a 1.00E+3n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.30E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 3.19E+3n/an/an/an/an/an/a



North-West University



Assay Description
The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...


Chem Biol Drug Des 87: 737-46 (2016)


Article DOI: 10.1111/cbdd.12708
BindingDB Entry DOI: 10.7270/Q2MG7N84
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 4.36E+3n/an/an/an/an/an/a



North-West University



Assay Description
The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...


Chem Biol Drug Des 87: 737-46 (2016)


Article DOI: 10.1111/cbdd.12708
BindingDB Entry DOI: 10.7270/Q2MG7N84
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 860n/an/an/an/an/an/a



North-West University



Assay Description
The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...


Chem Biol Drug Des 87: 737-46 (2016)


Article DOI: 10.1111/cbdd.12708
BindingDB Entry DOI: 10.7270/Q2MG7N84
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-acyl carrier protein dehydratase (YpFabZ)


(Yersinia pestis)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 5.30E+3n/an/an/an/a7.025



Brookhaven National Laboratory



Assay Description
The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...


Biochemistry 55: 1091-9 (2016)


Article DOI: 10.1021/acs.biochem.5b00832
BindingDB Entry DOI: 10.7270/Q2CN72P1
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-acyl carrier protein dehydratase (FtFabZ)


(Francisella tularensis)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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PubMed
n/an/a 5.40E+3n/an/an/an/a7.025



Brookhaven National Laboratory



Assay Description
The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...


Biochemistry 55: 1091-9 (2016)


Article DOI: 10.1021/acs.biochem.5b00832
BindingDB Entry DOI: 10.7270/Q2CN72P1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.70E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.01E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay


Bioorg Med Chem Lett 24: 5612-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.087
BindingDB Entry DOI: 10.7270/Q2MG7R4K
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.98E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 6.90E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Mus musculus)
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 9.37E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.24E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)


Bioorg Med Chem 17: 2276-81 (2009)


Article DOI: 10.1016/j.bmc.2008.10.090
BindingDB Entry DOI: 10.7270/Q21J99MN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 1.71E+3n/an/an/an/an/an/a



North-West University



Assay Description
The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...


Chem Biol Drug Des 87: 737-46 (2016)


Article DOI: 10.1111/cbdd.12708
BindingDB Entry DOI: 10.7270/Q2MG7N84
More data for this
Ligand-Target Pair