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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'akhtar' and Initial = 'j'   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222244
PNG
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1
Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+
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n/an/a 0.760n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222254
PNG
(6-Iodo-N4-(4-methylthiazol-2-yl)-N3-(3-nitrobenzyl...)
Show SMILES Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccc(I)cc23)c2ccccc2)n1
Show InChI InChI=1S/C25H19IN6O2S/c1-16-15-35-25(28-16)30-24-21-13-19(26)10-11-22(21)29-23(18-7-3-2-4-8-18)31(24)27-14-17-6-5-9-20(12-17)32(33)34/h2-15,24H,1H3,(H,28,30)/b27-14+
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n/an/a 1.22n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222239
PNG
(N3-(3-Nitrobenzylidene)-2-phenyl-N4-(thiazol-2-yl)...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)c1
Show InChI InChI=1S/C24H18N6O2S/c31-30(32)19-10-6-7-17(15-19)16-26-29-22(18-8-2-1-3-9-18)27-21-12-5-4-11-20(21)23(29)28-24-25-13-14-33-24/h1-16,23H,(H,25,28)/b26-16+
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n/an/a 1.33n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222245
PNG
(6-Iodo-N3-(4-methoxybenzylidene)-2-phenyl-N4-(thia...)
Show SMILES COc1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C25H20IN5OS/c1-32-20-10-7-17(8-11-20)16-28-31-23(18-5-3-2-4-6-18)29-22-12-9-19(26)15-21(22)24(31)30-25-27-13-14-33-25/h2-16,24H,1H3,(H,27,30)/b28-16+
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n/an/a 1.62n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222255
PNG
(6-Iodo-N3-(4-methoxybenzylidene)-N4-(4-methylthiaz...)
Show SMILES COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C26H22IN5OS/c1-17-16-34-26(29-17)31-25-22-14-20(27)10-13-23(22)30-24(19-6-4-3-5-7-19)32(25)28-15-18-8-11-21(33-2)12-9-18/h3-16,25H,1-2H3,(H,29,31)/b28-15+
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n/an/a 1.82n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222249
PNG
(N4-(4-Methylthiazol-2-yl)-N3-(3-nitrobenzylidene)-...)
Show SMILES Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C25H20N6O2S/c1-17-16-34-25(27-17)29-24-21-12-5-6-13-22(21)28-23(19-9-3-2-4-10-19)30(24)26-15-18-8-7-11-20(14-18)31(32)33/h2-16,24H,1H3,(H,27,29)/b26-15+
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n/an/a 2.19n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222250
PNG
(N3-(4-methoxybenzylidene)-N4-(4-methylthiazol-2-yl...)
Show SMILES COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C26H23N5OS/c1-18-17-33-26(28-18)30-25-22-10-6-7-11-23(22)29-24(20-8-4-3-5-9-20)31(25)27-16-19-12-14-21(32-2)15-13-19/h3-17,25H,1-2H3,(H,28,30)/b27-16+
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n/an/a 2.42n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222240
PNG
(N3-(4-Methoxybenzylidene)-2-phenyl-N4-(thiazol-2-y...)
Show SMILES COc1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C25H21N5OS/c1-31-20-13-11-18(12-14-20)17-27-30-23(19-7-3-2-4-8-19)28-22-10-6-5-9-21(22)24(30)29-25-26-15-16-32-25/h2-17,24H,1H3,(H,26,29)/b27-17+
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n/an/a 2.82n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222247
PNG
(6-Iodo-N3-(2-methoxybenzylidene)-2-phenyl-N4-(thia...)
Show SMILES COc1ccccc1\C=N\N1C(Nc2nccs2)c2cc(I)ccc2N=C1c1ccccc1
Show InChI InChI=1S/C25H20IN5OS/c1-32-22-10-6-5-9-18(22)16-28-31-23(17-7-3-2-4-8-17)29-21-12-11-19(26)15-20(21)24(31)30-25-27-13-14-33-25/h2-16,24H,1H3,(H,27,30)/b28-16+
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n/an/a 3.48n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (human))
BDBM50210628
PNG
(CHEMBL3946861)
Show SMILES CCSc1ncc(-c2cc([nH]c(=N)c2C#N)-c2ccc(Br)cc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H20BrN5S/c1-2-31-24-28-14-22(30(24)15-16-6-4-3-5-7-16)19-12-21(29-23(27)20(19)13-26)17-8-10-18(25)11-9-17/h3-12,14H,2,15H2,1H3,(H2,27,29)
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n/an/a 3.80n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A using fluorescein-labelled cAMP as substrate measured after 60 mins by IMAP TR-FRET assay


Eur J Med Chem 125: 143-189 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.023
BindingDB Entry DOI: 10.7270/Q23T9K6Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222257
PNG
(6-Iodo-N3-(2-methoxybenzylidene)-N4-(4-methylthiaz...)
Show SMILES COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2cc(I)ccc2N=C1c1ccccc1
Show InChI InChI=1S/C26H22IN5OS/c1-17-16-34-26(29-17)31-25-21-14-20(27)12-13-22(21)30-24(18-8-4-3-5-9-18)32(25)28-15-19-10-6-7-11-23(19)33-2/h3-16,25H,1-2H3,(H,29,31)/b28-15+
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n/an/a 3.98n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222252
PNG
(N3-(2-methoxybenzylidene)-N4-(4-methylthiazol-2-yl...)
Show SMILES COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2ccccc2N=C1c1ccccc1
Show InChI InChI=1S/C26H23N5OS/c1-18-17-33-26(28-18)30-25-21-13-7-8-14-22(21)29-24(19-10-4-3-5-11-19)31(25)27-16-20-12-6-9-15-23(20)32-2/h3-17,25H,1-2H3,(H,28,30)/b27-16+
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n/an/a 4.21n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222242
PNG
(N3-(2-Methoxybenzylidene)-2-phenyl-N4-(thiazol-2-y...)
Show SMILES COc1ccccc1\C=N\N1C(Nc2nccs2)c2ccccc2N=C1c1ccccc1
Show InChI InChI=1S/C25H21N5OS/c1-31-22-14-8-5-11-19(22)17-27-30-23(18-9-3-2-4-10-18)28-21-13-7-6-12-20(21)24(30)29-25-26-15-16-32-25/h2-17,24H,1H3,(H,26,29)/b27-17+
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n/an/a 6.51n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222256
PNG
(N3-(4-(Dimethylamino)-benzylidene)-6-iodo-N4-(4-me...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C27H25IN6S/c1-18-17-35-27(30-18)32-26-23-15-21(28)11-14-24(23)31-25(20-7-5-4-6-8-20)34(26)29-16-19-9-12-22(13-10-19)33(2)3/h4-17,26H,1-3H3,(H,30,32)/b29-16+
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n/an/a 6.53n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222251
PNG
(N3-(4-(Dimethylamino)-benzylidene)-N4-(4-methylthi...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C27H26N6S/c1-19-18-34-27(29-19)31-26-23-11-7-8-12-24(23)30-25(21-9-5-4-6-10-21)33(26)28-17-20-13-15-22(16-14-20)32(2)3/h4-18,26H,1-3H3,(H,29,31)/b28-17+
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n/an/a 6.72n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222253
PNG
(N3-Benzylidene-6-iodo-N4-(4-methylthiazol-2-yl)-2-...)
Show SMILES Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccc(I)cc23)c2ccccc2)n1
Show InChI InChI=1S/C25H20IN5S/c1-17-16-32-25(28-17)30-24-21-14-20(26)12-13-22(21)29-23(19-10-6-3-7-11-19)31(24)27-15-18-8-4-2-5-9-18/h2-16,24H,1H3,(H,28,30)/b27-15+
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n/an/a 7.24n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222246
PNG
(N3-{4-(Dimethylamino)-benzylidene}-6-iodo-2-phenyl...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C26H23IN6S/c1-32(2)21-11-8-18(9-12-21)17-29-33-24(19-6-4-3-5-7-19)30-23-13-10-20(27)16-22(23)25(33)31-26-28-14-15-34-26/h3-17,25H,1-2H3,(H,28,31)/b29-17+
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n/an/a 7.83n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222248
PNG
(N3-Benzylidene-N4-(4-methylthiazol-2-yl)-2-phenylq...)
Show SMILES Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C25H21N5S/c1-18-17-31-25(27-18)29-24-21-14-8-9-15-22(21)28-23(20-12-6-3-7-13-20)30(24)26-16-19-10-4-2-5-11-19/h2-17,24H,1H3,(H,27,29)/b26-16+
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n/an/a 8.17n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222241
PNG
(N3-(4-(Dimethylamino)-benzylidene)-2-phenyl-N4-(th...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1
Show InChI InChI=1S/C26H24N6S/c1-31(2)21-14-12-19(13-15-21)18-28-32-24(20-8-4-3-5-9-20)29-23-11-7-6-10-22(23)25(32)30-26-27-16-17-33-26/h3-18,25H,1-2H3,(H,27,30)/b28-18+
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n/an/a 8.64n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222243
PNG
(N3-Benzylidene-6-iodo-2-phenyl-N4-(thiazol-2-yl)-q...)
Show SMILES Ic1ccc2N=C(N(\N=C\c3ccccc3)C(Nc3nccs3)c2c1)c1ccccc1
Show InChI InChI=1S/C24H18IN5S/c25-19-11-12-21-20(15-19)23(29-24-26-13-14-31-24)30(27-16-17-7-3-1-4-8-17)22(28-21)18-9-5-2-6-10-18/h1-16,23H,(H,26,29)/b27-16+
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n/an/a 12.3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222238
PNG
(N3-Benzylidene-2-phenyl-N4-(thiazol-2-yl)-quinazol...)
Show SMILES N(C1N(\N=C\c2ccccc2)C(=Nc2ccccc12)c1ccccc1)c1nccs1
Show InChI InChI=1S/C24H19N5S/c1-3-9-18(10-4-1)17-26-29-22(19-11-5-2-6-12-19)27-21-14-8-7-13-20(21)23(29)28-24-25-15-16-30-24/h1-17,23H,(H,25,28)/b26-17+
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n/an/a 13.7n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222282
PNG
(N-(3-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-7-6-13(18-19-14)17-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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Article
PubMed
n/an/a 3.83E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222281
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cc(C)cc(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 8.73E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222287
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitr...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222279
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-toly...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)cc2)nn1
Show InChI InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
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n/an/a 9.36E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222278
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylp...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccccc2)nn1
Show InChI InChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
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n/an/a 9.61E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222285
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-meth...)
Show SMILES COc1ccc(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N6O3/c1-10-16(22(23)24)11(2)21(20-10)15-9-8-14(18-19-15)17-12-4-6-13(25-3)7-5-12/h4-9H,1-3H3,(H,17,18)
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222280
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)c(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-5-6-14(9-11(10)2)18-15-7-8-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 1.72E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222286
PNG
(N-(2,5-Dimethoxyphenyl)-6-(3,5-dimethyl-4-nitro-1H...)
Show SMILES COc1ccc(OC)c(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
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n/an/a 2.75E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222283
PNG
(N-(4-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 3.92E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222284
PNG
(N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyraz...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C15H13BrN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 4.29E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair