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PubMed code 26496515

Compile data set for download or QSAR
Found 11 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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178021
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2Cl)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H13ClN4O5S2/c1-10-9-28-17(21(10)11-2-5-13(6-3-11)29(19,26)27)20-16(23)14-7-4-12(22(24)25)8-15(14)18/h2-9H,1H3,(H2,19,26,27)/b20-17-
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n/an/a 58n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178020
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2cccc(F)c2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-
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n/an/a 64n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178016
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(C)cc2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-3-5-14(6-4-12)17(22)20-18-21(13(2)11-25-18)15-7-9-16(10-8-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 72n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178019
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES COc1cccc(c1)C(=O)\N=c1/scc(C)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S2/c1-12-11-26-18(20-17(22)13-4-3-5-15(10-13)25-2)21(12)14-6-8-16(9-7-14)27(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 81n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178017
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)12-2-4-14(5-3-12)21(23)24)20(11)13-6-8-15(9-7-13)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-
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n/an/a 83n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178022
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccco2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-
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n/an/a 83n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178014
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2C)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-5-3-4-6-16(12)17(22)20-18-21(13(2)11-25-18)14-7-9-15(10-8-14)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 87n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178015
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2cccc(C)c2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S2/c1-12-4-3-5-14(10-12)17(22)20-18-21(13(2)11-25-18)15-6-8-16(9-7-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-
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n/an/a 87n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178013
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15N3O3S2/c1-12-11-24-17(19-16(21)13-5-3-2-4-6-13)20(12)14-7-9-15(10-8-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23)/b19-17-
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n/an/a 96n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM178018
PNG
((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)14-4-2-3-5-15(14)21(23)24)20(11)12-6-8-13(9-7-12)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-
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n/an/a 350n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
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 2.09E+4n/an/an/an/a8.2n/a



Quaid-i-Azam University



Assay Description
The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...

Chem Biol Drug Des 87: 434-43 (2016)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q2CZ35X0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%