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PubMed code 27943581

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Histone deacetylase 1


(Homo sapiens (human))
BDBM50328678
PNG
(6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



The University of Sydney



Assay Description
A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



The University of Sydney



Assay Description
A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM218835
PNG
(BIQD-substituted compound, S2)
Show SMILES CC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H20N2O4/c1-13(22)21(25)12-4-2-3-11-20-18(23)15-9-5-7-14-8-6-10-16(17(14)15)19(20)24/h5-10,25H,2-4,11-12H2,1H3
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UniChem
Article
PubMed
n/an/a 5.89E+4n/an/an/an/an/an/a



The University of Sydney



Assay Description
A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218835
PNG
(BIQD-substituted compound, S2)
Show SMILES CC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H20N2O4/c1-13(22)21(25)12-4-2-3-11-20-18(23)15-9-5-7-14-8-6-10-16(17(14)15)19(20)24/h5-10,25H,2-4,11-12H2,1H3
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n/an/a 1.72E+5n/an/an/an/an/an/a



The University of Sydney



Assay Description
A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM50328678
PNG
(6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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Article
PubMed
n/an/a 2.12E+5n/an/an/an/an/an/a



The University of Sydney



Assay Description
A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218834
PNG
(BIQD-substituted compound, S1)
Show SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C37H52N6O10/c1-27(44)41(51)24-8-2-5-21-38-31(45)17-19-33(47)42(52)25-9-3-6-22-39-32(46)18-20-34(48)43(53)26-10-4-7-23-40-36(49)29-15-11-13-28-14-12-16-30(35(28)29)37(40)50/h11-16,51-53H,2-10,17-26H2,1H3,(H,38,45)(H,39,46)
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n/an/a 2.58E+5n/an/an/an/an/an/a



The University of Sydney



Assay Description
A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218836
PNG
(BIQD-substituted compound, S5)
Show SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C28H36N4O7/c1-20(33)31(38)18-6-2-4-16-29-24(34)14-15-25(35)32(39)19-7-3-5-17-30-27(36)22-12-8-10-21-11-9-13-23(26(21)22)28(30)37/h8-13,38-39H,2-7,14-19H2,1H3,(H,29,34)
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Article
PubMed
n/an/a 3.14E+5n/an/an/an/an/an/a



The University of Sydney



Assay Description
A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM218836
PNG
(BIQD-substituted compound, S5)
Show SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C28H36N4O7/c1-20(33)31(38)18-6-2-4-16-29-24(34)14-15-25(35)32(39)19-7-3-5-17-30-27(36)22-12-8-10-21-11-9-13-23(26(21)22)28(30)37/h8-13,38-39H,2-7,14-19H2,1H3,(H,29,34)
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Article
PubMed
n/an/a 2.34E+6n/an/an/an/an/an/a



The University of Sydney



Assay Description
A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...


Chembiochem 18: 368-373 (2017)


Article DOI: 10.1002/cbic.201600636
BindingDB Entry DOI: 10.7270/Q2RV0MH7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%