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PubMed code 27589035

Compile data set for download or QSAR
Found 41 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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
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n/an/a 140n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223080
PNG
((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...)
Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
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n/an/a 190n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223076
PNG
((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
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n/an/a 210n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223079
PNG
((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 210n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223072
PNG
((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...)
Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 230n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223074
PNG
((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+
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n/an/a 310n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
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n/an/a 350n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223080
PNG
((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...)
Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
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n/an/a 360n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 440n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223075
PNG
((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1
Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
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n/an/a 450n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223074
PNG
((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+
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n/an/a 560n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223071
PNG
((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 670n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
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n/an/a 680n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223080
PNG
((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...)
Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
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n/an/a 1.06E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223071
PNG
((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 1.08E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223075
PNG
((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1
Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
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n/an/a 1.34E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223075
PNG
((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1
Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
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n/an/a 1.44E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223079
PNG
((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 1.46E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223071
PNG
((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 1.67E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223074
PNG
((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+
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n/an/a 1.74E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223076
PNG
((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
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n/an/a 1.82E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223076
PNG
((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
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n/an/a 1.90E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
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n/an/a 1.92E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223078
PNG
((E)-N'-(Pyridin-4'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1ccncc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 2.12E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 2.26E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223079
PNG
((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 2.43E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223078
PNG
((E)-N'-(Pyridin-4'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1ccncc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 2.46E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223078
PNG
((E)-N'-(Pyridin-4'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1ccncc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 2.89E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223079
PNG
((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 3.01E+3n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223080
PNG
((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...)
Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
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n/an/a 3.98E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223072
PNG
((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...)
Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 4.13E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 6.76E+3n/an/an/an/a7.437



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Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223072
PNG
((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...)
Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223076
PNG
((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
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n/an/a 7.34E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223072
PNG
((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...)
Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 9.72E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM223074
PNG
((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+
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n/an/a 1.38E+4n/an/an/an/a7.437



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Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
Show InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
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n/an/a 1.92E+4n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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n/an/a 4.21E+4n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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n/an/a 7.73E+4n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a 8.02E+4n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%