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PubMed code 23230954

Compile data set for download or QSAR
Found 17 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))
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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UniChem
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PubMed
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))
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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CHEBI
CHEMBL
KEGG
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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
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))
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))
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))
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))
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))
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))
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))
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))
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))
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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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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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))
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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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))
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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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))
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
* indicates data uncertainty>20%