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PubMed code 28139246

Compile data set for download or QSAR
Found 22 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
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222186
PNG
(6-(Dimethylamino)-3-(4'-nitrophenyl)-2,3-dihyd...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4S/c1-21(2)16-11-10-15-18-14(16)4-3-5-17(18)27(25,26)20-19(15)12-6-8-13(9-7-12)22(23)24/h3-11,19-20H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222179
PNG
(6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-21(2)16-12-11-15-18-14(16)9-6-10-17(18)24(22,23)20-19(15)13-7-4-3-5-8-13/h3-12,19-20H,1-2H3
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n/an/a 190n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222188
PNG
(6-(Dimethylamino)-3-(4'-hydroxy-3'-methoxy...)
Show SMILES COc1cc(ccc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-16(23)17(11-12)26-3/h4-11,20-21,23H,1-3H3
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n/an/a 200n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222189
PNG
(6-(Dimethylamino)-3-(3'-hydroxy-4'-methoxy...)
Show SMILES COc1ccc(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-17(26-3)16(23)11-12/h4-11,20-21,23H,1-3H3
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n/an/a 270n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222185
PNG
(6-(Dimethylamino)-3-(3',5'-dichloro-2-hydr...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C19H16Cl2N2O3S/c1-23(2)15-7-6-12-17-11(15)4-3-5-16(17)27(25,26)22-18(12)13-8-10(20)9-14(21)19(13)24/h3-9,18,22,24H,1-2H3
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n/an/a 270n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222190
PNG
(6-(Dimethylamino)-3-(3'-bromo-4'-methoxyph...)
Show SMILES COc1ccc(cc1Br)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H19BrN2O3S/c1-23(2)16-9-8-14-19-13(16)5-4-6-18(19)27(24,25)22-20(14)12-7-10-17(26-3)15(21)11-12/h4-11,20,22H,1-3H3
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n/an/a 300n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222187
PNG
(6-(Dimethylamino)-3-(2'-methoxyphenyl)-2,3-dih...)
Show SMILES COc1ccccc1C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H20N2O3S/c1-22(2)16-12-11-15-19-13(16)8-6-10-18(19)26(23,24)21-20(15)14-7-4-5-9-17(14)25-3/h4-12,20-21H,1-3H3
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n/an/a 310n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM222185
PNG
(6-(Dimethylamino)-3-(3',5'-dichloro-2-hydr...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C19H16Cl2N2O3S/c1-23(2)15-7-6-12-17-11(15)4-3-5-16(17)27(25,26)22-18(12)13-8-10(20)9-14(21)19(13)24/h3-9,18,22,24H,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222180
PNG
(6-(Dimethylamino)-3-(4'-dichlorophenyl)-2,3-di...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-22(2)16-11-10-15-18-14(16)4-3-5-17(18)25(23,24)21-19(15)12-6-8-13(20)9-7-12/h3-11,19,21H,1-2H3
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n/an/a 420n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222191
PNG
(6-(Dimethylamino)-3-(5'-bromo-2'-hydroxy-3...)
Show SMILES COc1cc(Br)c(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H19BrN2O4S/c1-23(2)15-8-7-12-19-11(15)5-4-6-18(19)28(25,26)22-20(12)13-9-16(24)17(27-3)10-14(13)21/h4-10,20,22,24H,1-3H3
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n/an/a 440n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222181
PNG
(6-(Dimethylamino)-3-(4'-methylphenyl)-2,3-dihy...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccc(C)cc1
Show InChI InChI=1S/C20H20N2O2S/c1-13-7-9-14(10-8-13)20-16-11-12-17(22(2)3)15-5-4-6-18(19(15)16)25(23,24)21-20/h4-12,20-21H,1-3H3
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n/an/a 460n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222182
PNG
(6-(Dimethylamino)-3-(4'-hydroxyphenyl)-2,3-dih...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O3S/c1-21(2)16-11-10-15-18-14(16)4-3-5-17(18)25(23,24)20-19(15)12-6-8-13(22)9-7-12/h3-11,19-20,22H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222192
PNG
(6-(Dimethylamino)-3-(2',3',4'-trimetho...)
Show SMILES COc1ccc(C2NS(=O)(=O)c3cccc4c(ccc2c34)N(C)C)c(OC)c1OC
Show InChI InChI=1S/C22H24N2O5S/c1-24(2)16-11-9-14-19-13(16)7-6-8-18(19)30(25,26)23-20(14)15-10-12-17(27-3)22(29-5)21(15)28-4/h6-12,20,23H,1-5H3
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n/an/a 510n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222191
PNG
(6-(Dimethylamino)-3-(5'-bromo-2'-hydroxy-3...)
Show SMILES COc1cc(Br)c(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H19BrN2O4S/c1-23(2)15-8-7-12-19-11(15)5-4-6-18(19)28(25,26)22-20(12)13-9-16(24)17(27-3)10-14(13)21/h4-10,20,22,24H,1-3H3
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n/an/a 680n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM222179
PNG
(6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-21(2)16-12-11-15-18-14(16)9-6-10-17(18)24(22,23)20-19(15)13-7-4-3-5-8-13/h3-12,19-20H,1-2H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222192
PNG
(6-(Dimethylamino)-3-(2',3',4'-trimetho...)
Show SMILES COc1ccc(C2NS(=O)(=O)c3cccc4c(ccc2c34)N(C)C)c(OC)c1OC
Show InChI InChI=1S/C22H24N2O5S/c1-24(2)16-11-9-14-19-13(16)7-6-8-18(19)30(25,26)23-20(14)15-10-12-17(27-3)22(29-5)21(15)28-4/h6-12,20,23H,1-5H3
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PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222184
PNG
(6-(Dimethylamino)-3-(3'-nitrophenyl)-2,3-dihyd...)
Show SMILES CN(C)c1ccc2C(NS(=O)(=O)c3cccc1c23)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4S/c1-21(2)16-10-9-15-18-14(16)7-4-8-17(18)27(25,26)20-19(15)12-5-3-6-13(11-12)22(23)24/h3-11,19-20H,1-2H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222189
PNG
(6-(Dimethylamino)-3-(3'-hydroxy-4'-methoxy...)
Show SMILES COc1ccc(cc1O)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-17(26-3)16(23)11-12/h4-11,20-21,23H,1-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222190
PNG
(6-(Dimethylamino)-3-(3'-bromo-4'-methoxyph...)
Show SMILES COc1ccc(cc1Br)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H19BrN2O3S/c1-23(2)16-9-8-14-19-13(16)5-4-6-18(19)27(24,25)22-20(14)12-7-10-17(26-3)15(21)11-12/h4-11,20,22H,1-3H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM222183
PNG
(6-(Dimethylamino)-3-(4'-thiomethylphenyl)-2,3-...)
Show SMILES CSc1ccc(cc1)C1NS(=O)(=O)c2cccc3c(ccc1c23)N(C)C
Show InChI InChI=1S/C20H20N2O2S2/c1-22(2)17-12-11-16-19-15(17)5-4-6-18(19)26(23,24)21-20(16)13-7-9-14(25-3)10-8-13/h4-12,20-21H,1-3H3
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n/an/a 6.63E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
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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Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(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/an/an/a



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%