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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'akhtar' and Initial = 'm'   
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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PDB
Article
PubMed
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
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 250n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 573n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50292424
PNG
(Anacardic acid 10'Z-monoene | CHEMBL470264)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h5-6,15,17-18,23H,2-4,7-14,16H2,1H3,(H,24,25)/b6-5-
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n/an/a 2.17E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347127
PNG
(CHEMBL1797234)
Show SMILES CCCCC[C@H](O)\C=C\CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O4/c1-2-3-9-15-19(23)16-11-8-6-4-5-7-10-13-18-14-12-17-20(24)21(18)22(25)26/h11-12,14,16-17,19,23-24H,2-10,13,15H2,1H3,(H,25,26)/b16-11+/t19-/m0/s1
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n/an/a 3.18E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106912
PNG
(CHEMBL3601761)
Show SMILES OC(=O)c1ccc(cc1NC=C1C(=O)NC(=S)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c17-9-7(10(18)15-12(23)14-9)4-13-8-3-5(16(21)22)1-2-6(8)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,23)
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n/an/a 8.53E+3n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106914
PNG
(CHEMBL3601759)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1
Show InChI InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 8.93E+3n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106916
PNG
(CHEMBL3601757)
Show SMILES OC(=O)c1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C12H9N3O4S/c16-9-7(10(17)15-12(20)14-9)5-13-8-4-2-1-3-6(8)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259927
PNG
(3-[10'(Z)-heptadecenyl]phenol | CHEMBL470127)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-
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n/an/a 1.31E+4n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106878
PNG
(CHEMBL3601773)
Show SMILES Sc1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O2S2/c15-9-6(10(16)14-11(18)13-9)5-12-7-3-1-2-4-8(7)17/h1-5,12,17H,(H2,13,14,15,16,18)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347129
PNG
(CHEMBL1797236)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h5-6,15,17-19,22H,2-4,7-14,16H2,1H3/b6-5-
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n/an/a 1.72E+4n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106911
PNG
(CHEMBL3601762)
Show SMILES OC(=O)c1ccc(O)c(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H9N3O5S/c16-8-2-1-5(11(19)20)3-7(8)13-4-6-9(17)14-12(21)15-10(6)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 1.89E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106879
PNG
(CHEMBL3601772)
Show SMILES Oc1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-8-4-2-1-3-7(8)12-5-6-9(16)13-11(18)14-10(6)17/h1-5,12,15H,(H2,13,14,16,17,18)
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n/an/a 1.97E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106915
PNG
(CHEMBL3601758)
Show SMILES OC(=O)c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-2-6(4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 2.18E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106906
PNG
(CHEMBL3601767)
Show SMILES FC(F)(F)c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)6-2-1-3-7(4-6)16-5-8-9(19)17-11(21)18-10(8)20/h1-5,16H,(H2,17,18,19,20,21)
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n/an/a 2.46E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106917
PNG
(CHEMBL3601756)
Show SMILES OC(=O)c1cc(NC=C2C(=O)NC(=O)NC2=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O7/c17-9-7(10(18)15-12(21)14-9)4-13-5-1-2-8(16(22)23)6(3-5)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 2.58E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106909
PNG
(CHEMBL3601764)
Show SMILES OC(=O)c1ccc(Cl)c(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H8ClN3O4S/c13-7-2-1-5(11(19)20)3-8(7)14-4-6-9(17)15-12(21)16-10(6)18/h1-4,14H,(H,19,20)(H2,15,16,17,18,21)
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n/an/a 2.67E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106904
PNG
(CHEMBL3601769)
Show SMILES [O-][N+](=O)c1ccc(c(NC=C2C(=O)NC(=S)NC2=O)c1)C(F)(F)F
Show InChI InChI=1S/C12H7F3N4O4S/c13-12(14,15)7-2-1-5(19(22)23)3-8(7)16-4-6-9(20)17-11(24)18-10(6)21/h1-4,16H,(H2,17,18,20,21,24)
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n/an/a 2.87E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106913
PNG
(CHEMBL3601760)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1O
Show InChI InChI=1S/C12H9N3O5S/c16-8-3-5(1-2-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 3.23E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
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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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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106910
PNG
(CHEMBL3601763)
Show SMILES OC(=O)c1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c17-9-7(10(18)15-12(23)14-9)4-13-5-1-2-8(16(21)22)6(3-5)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,23)
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n/an/a 3.98E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106880
PNG
(CHEMBL3601771)
Show SMILES Ic1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H8IN3O2S/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5,13H,(H2,14,15,16,17,18)
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n/an/a 4.13E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106908
PNG
(CHEMBL3601765)
Show SMILES Sc1ccccc1NC=C1C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-9-6(10(16)14-11(17)13-9)5-12-7-3-1-2-4-8(7)18/h1-5,12,18H,(H2,13,14,15,16,17)
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n/an/a 5.26E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106907
PNG
(CHEMBL3601766)
Show SMILES FC(F)(F)c1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-1-2-4-8(7)16-5-6-9(19)17-11(21)18-10(6)20/h1-5,16H,(H2,17,18,19,20,21)
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n/an/a 6.53E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106918
PNG
(CHEMBL3601372)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1O
Show InChI InChI=1S/C12H9N3O6/c16-8-3-5(1-2-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 8.83E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106881
PNG
(CHEMBL3601770)
Show SMILES Clc1cc(Cl)cc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C11H7Cl2N3O2S/c12-5-1-6(13)3-7(2-5)14-4-8-9(17)15-11(19)16-10(8)18/h1-4,14H,(H2,15,16,17,18,19)
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n/an/a 8.92E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
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