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PubMed code 26475519

Compile data set for download or QSAR
Found 40 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


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132403
PNG
(CHEMBL3633765)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 4.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5)


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132345
PNG
(CHEMBL3633761)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 5.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 6.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132488
PNG
(CHEMBL3633773)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-16-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-16)26-17-9-13(22)6-7-15(17)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50132482
PNG
(CHEMBL3633768)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20Cl2N4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-15-6-5-12(21)8-14(15)22/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132389
PNG
(CHEMBL3633764)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H21BrN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132344
PNG
(CHEMBL3633760)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132487
PNG
(CHEMBL3633772)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20Cl2N4O4/c1-29-17-10-15-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-15)25-16-8-12(21)5-6-14(16)22/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5)


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132486
PNG
(CHEMBL3633771)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18Cl2N4O4/c1-28-16-9-14-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-14)24-15-7-11(20)4-5-13(15)21/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 57n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 62n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 84n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132480
PNG
(CHEMBL3633767)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18Cl2N4O4/c1-28-16-9-15-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-15)24-14-5-4-11(20)7-13(14)21/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 86n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132347
PNG
(CHEMBL3633763)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19BrN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 97n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human C-C chemokine receptor type 4


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132482
PNG
(CHEMBL3633768)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20Cl2N4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-15-6-5-12(21)8-14(15)22/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 115n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132343
PNG
(CHEMBL3633759)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 121n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132480
PNG
(CHEMBL3633767)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18Cl2N4O4/c1-28-16-9-15-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-15)24-14-5-4-11(20)7-13(14)21/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 138n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132479
PNG
(CHEMBL3633766)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16Cl2N4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-13-3-2-10(19)6-12(13)20/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 215n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132485
PNG
(CHEMBL3633770)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16Cl2N4O4/c1-27-15-8-13-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-13)23-14-6-10(19)2-3-12(14)20/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 348n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132343
PNG
(CHEMBL3633759)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 352n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132479
PNG
(CHEMBL3633766)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16Cl2N4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-13-3-2-10(19)6-12(13)20/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 370n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132389
PNG
(CHEMBL3633764)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H21BrN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 415n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132347
PNG
(CHEMBL3633763)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19BrN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 434n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132403
PNG
(CHEMBL3633765)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 462n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132342
PNG
(CHEMBL3633758)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17ClN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 476n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132345
PNG
(CHEMBL3633761)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 501n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132346
PNG
(CHEMBL3633762)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17BrN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 531n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against C-C chemokine receptor type 3


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132344
PNG
(CHEMBL3633760)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 613n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132346
PNG
(CHEMBL3633762)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17BrN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 625n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132342
PNG
(CHEMBL3633758)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17ClN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 645n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132485
PNG
(CHEMBL3633770)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16Cl2N4O4/c1-27-15-8-13-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-13)23-14-6-10(19)2-3-12(14)20/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 1.26E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132486
PNG
(CHEMBL3633771)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18Cl2N4O4/c1-28-16-9-14-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-14)24-15-7-11(20)4-5-13(15)21/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 2.14E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132488
PNG
(CHEMBL3633773)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-16-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-16)26-17-9-13(22)6-7-15(17)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 2.45E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132487
PNG
(CHEMBL3633772)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20Cl2N4O4/c1-29-17-10-15-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-15)25-16-8-12(21)5-6-14(16)22/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Effective concentration required for prostanoid EP4 receptor activity was determined


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%