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Compile Data Set for Download or QSAR

Found 31 hits of ph data with Target = 'Urease'   
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))
BDBM246470
PNG
(4-(4-Methoxyphenyl)-6-(9-methyl-9H-carbazol-3-yl)-...)
Show SMILES COc1ccc(cc1)-c1cc(nc(N)n1)-c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C24H20N4O/c1-28-22-6-4-3-5-18(22)19-13-16(9-12-23(19)28)21-14-20(26-24(25)27-21)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H2,25,26,27)
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n/an/a 9.54E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246484
PNG
(4-(3-Aminophenyl)-6-(9-methyl-9H-carbazol-3-yl)-py...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1cccc(N)c1
Show InChI InChI=1S/C23H19N5/c1-28-21-8-3-2-7-17(21)18-12-15(9-10-22(18)28)20-13-19(26-23(25)27-20)14-5-4-6-16(24)11-14/h2-13H,24H2,1H3,(H2,25,26,27)
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n/an/a 8.37E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246483
PNG
(4-(9-Methyl-9H-carbazol-3-yl)-6-(pyridin-2-yl)-pyr...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccn1
Show InChI InChI=1S/C22H17N5/c1-27-20-8-3-2-6-15(20)16-12-14(9-10-21(16)27)18-13-19(26-22(23)25-18)17-7-4-5-11-24-17/h2-13H,1H3,(H2,23,25,26)
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n/an/a>1.00E+5n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246482
PNG
(4-(9-Methyl-9H-carbazol-3-yl)-6-(thiophen-2-yl)-py...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1cccs1
Show InChI InChI=1S/C21H16N4S/c1-25-18-6-3-2-5-14(18)15-11-13(8-9-19(15)25)16-12-17(24-21(22)23-16)20-7-4-10-26-20/h2-12H,1H3,(H2,22,23,24)
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Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246481
PNG
(4-(9-Methyl-9H-carbazol-3-yl)-6-(4-nitrophenyl)-py...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N5O2/c1-27-21-5-3-2-4-17(21)18-12-15(8-11-22(18)27)20-13-19(25-23(24)26-20)14-6-9-16(10-7-14)28(29)30/h2-13H,1H3,(H2,24,25,26)
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n/an/a 8.72E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246480
PNG
(4-(4-Bromophenyl)-6-(9-methyl-9H-carbazol-3-yl)-py...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H17BrN4/c1-28-21-5-3-2-4-17(21)18-12-15(8-11-22(18)28)20-13-19(26-23(25)27-20)14-6-9-16(24)10-7-14/h2-13H,1H3,(H2,25,26,27)
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n/an/a 9.51E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246479
PNG
(4-(2,5-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)16-10-13(6-9-22(16)29)19-12-20(28-23(26)27-19)17-11-14(24)7-8-18(17)25/h2-12H,1H3,(H2,26,27,28)
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n/an/a 2.81E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246478
PNG
(4-(3,4-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28)
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n/an/a 2.32E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246477
PNG
(4-(2,4-Dichlorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl2N4/c1-29-21-5-3-2-4-15(21)17-10-13(6-9-22(17)29)19-12-20(28-23(26)27-19)16-8-7-14(24)11-18(16)25/h2-12H,1H3,(H2,26,27,28)
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n/an/a 1.94E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246476
PNG
(4-(4-Chlorophenyl)-6-(9-methyl-9H-carbazol-3-yl)-p...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H17ClN4/c1-28-21-5-3-2-4-17(21)18-12-15(8-11-22(18)28)20-13-19(26-23(25)27-20)14-6-9-16(24)10-7-14/h2-13H,1H3,(H2,25,26,27)
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Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM174833
PNG
(3,4,5-Trihydroxy xanthone (1) | US9114126, MB5)
Show SMILES Oc1ccc2c(oc3c(O)cccc3c2=O)c1O
Show InChI InChI=1S/C13H8O5/c14-8-5-4-7-10(16)6-2-1-3-9(15)12(6)18-13(7)11(8)17/h1-5,14-15,17H
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n/an/a 3.80E+4n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233115
PNG
(Tetracosyl 3-(3,4-dihydroxyphenyl) acrylate (2))
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C33H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-37-33(36)27-25-30-24-26-31(34)32(35)29-30/h24-27,29,34-35H,2-23,28H2,1H3/b27-25+
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University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50155446
PNG
(1,3,7-Trihydroxy xanthone (3) | 1,3,7-Trihydroxy-x...)
Show SMILES Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
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n/an/a 1.38E+5n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
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/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246469
PNG
(4-(9-Methyl-9H-carbazol-3-yl)-6-phenylpyrimidin-2-...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-27-21-10-6-5-9-17(21)18-13-16(11-12-22(18)27)20-14-19(25-23(24)26-20)15-7-3-2-4-8-15/h2-14H,1H3,(H2,24,25,26)
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Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
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/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246471
PNG
(4-(3,4-Dimethoxyphenyl)-6-(9-methyl-9H-carbazol-3-...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)n1)-c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C25H22N4O2/c1-29-21-7-5-4-6-17(21)18-12-15(8-10-22(18)29)19-14-20(28-25(26)27-19)16-9-11-23(30-2)24(13-16)31-3/h4-14H,1-3H3,(H2,26,27,28)
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n/an/a 3.07E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246472
PNG
(4-(9-Methyl-9H-carbazol-3-yl)-6-(2,4,6-trimethoxyp...)
Show SMILES COc1cc(OC)c(c(OC)c1)-c1cc(nc(N)n1)-c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C26H24N4O3/c1-30-21-8-6-5-7-17(21)18-11-15(9-10-22(18)30)19-14-20(29-26(27)28-19)25-23(32-3)12-16(31-2)13-24(25)33-4/h5-14H,1-4H3,(H2,27,28,29)
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n/an/a 7.37E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246473
PNG
(4-(4-Fluorophenyl)-6-(9-methyl-9H-carbazol-3-yl)-p...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4/c1-28-21-5-3-2-4-17(21)18-12-15(8-11-22(18)28)20-13-19(26-23(25)27-20)14-6-9-16(24)10-7-14/h2-13H,1H3,(H2,25,26,27)
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Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246474
PNG
(4-(2,4-Difluorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H16F2N4/c1-29-21-5-3-2-4-15(21)17-10-13(6-9-22(17)29)19-12-20(28-23(26)27-19)16-8-7-14(24)11-18(16)25/h2-12H,1H3,(H2,26,27,28)
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n/an/a 4.02E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246475
PNG
(4-(3,4-Difluorophenyl)-6-(9-methyl-9H-carbazol-3-y...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H16F2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28)
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n/an/a 4.52E+4n/an/an/an/a6.830



Solapur University



Assay Description
Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...


J Enzyme Inhib Med Chem 28: 1316-23 (2013)


Article DOI: 10.3109/14756366.2012.740477
BindingDB Entry DOI: 10.7270/Q2J965BH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85757
PNG
(Dicoumarol derivative, 10)
Show SMILES Oc1c(C(c2cccc3ccccc23)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C29H18O6/c30-26-19-11-3-5-14-21(19)34-28(32)24(26)23(18-13-7-9-16-8-1-2-10-17(16)18)25-27(31)20-12-4-6-15-22(20)35-29(25)33/h1-15,23,30-31H
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n/an/a 8.41E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85756
PNG
(Dicoumarol derivative, 9)
Show SMILES Oc1c(C(c2cccc(c2)N(=O)=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15NO8/c27-22-15-8-1-3-10-17(15)33-24(29)20(22)19(13-6-5-7-14(12-13)26(31)32)21-23(28)16-9-2-4-11-18(16)34-25(21)30/h1-12,19,27-28H
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n/an/a 7.51E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85755
PNG
(Dicoumarol derivative, 8)
Show SMILES Nc1cccc(c1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C25H17NO6/c26-14-7-5-6-13(12-14)19(20-22(27)15-8-1-3-10-17(15)31-24(20)29)21-23(28)16-9-2-4-11-18(16)32-25(21)30/h1-12,19,27-28H,26H2
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n/an/a 7.43E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85754
PNG
(Dicoumarol derivative, 7)
Show SMILES Oc1c(C(c2ccncc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H
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n/an/a 8.53E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85750
PNG
(Dicoumarol derivative, 1)
Show SMILES COc1ccc(cc1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C27H20O8/c1-32-19-12-11-14(13-20(19)33-2)21(22-24(28)15-7-3-5-9-17(15)34-26(22)30)23-25(29)16-8-4-6-10-18(16)35-27(23)31/h3-13,21,28-29H,1-2H3
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n/an/a 7.83E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50226830
PNG
(4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-i...)
Show SMILES CC(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
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n/an/a 8.20E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85753
PNG
(Dicoumarol derivative, 4)
Show SMILES CCOc1cc(ccc1O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C27H20O8/c1-2-33-20-13-14(11-12-17(20)28)21(22-24(29)15-7-3-5-9-18(15)34-26(22)31)23-25(30)16-8-4-6-10-19(16)35-27(23)32/h3-13,21,28-30H,2H2,1H3
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n/an/a 7.98E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85752
PNG
(Dicoumarol derivative, 3)
Show SMILES CCOc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C27H20O7/c1-2-32-16-13-11-15(12-14-16)21(22-24(28)17-7-3-5-9-19(17)33-26(22)30)23-25(29)18-8-4-6-10-20(18)34-27(23)31/h3-14,21,28-29H,2H2,1H3
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n/an/a 9.13E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM85751
PNG
(Dicoumarol derivative, 2)
Show SMILES COc1cc(cc(OC)c1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H22O9/c1-33-19-12-14(13-20(34-2)26(19)35-3)21(22-24(29)15-8-4-6-10-17(15)36-27(22)31)23-25(30)16-9-5-7-11-18(16)37-28(23)32/h4-13,21,29-30H,1-3H3
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n/an/a 8.17E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50055695
PNG
(3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...)
Show SMILES CN(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C27H21NO6/c1-28(2)16-13-11-15(12-14-16)21(22-24(29)17-7-3-5-9-19(17)33-26(22)31)23-25(30)18-8-4-6-10-20(18)34-27(23)32/h3-14,21,29-30H,1-2H3
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n/an/a 8.01E+4n/an/an/an/a8.230



University of Karachi



Assay Description
Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.


J Enzyme Inhib Med Chem 19: 367-71 (2004)


Article DOI: 10.1016/j.bioorg.2016.01.007
BindingDB Entry DOI: 10.7270/Q2PR7TJ5
More data for this
Ligand-Target Pair