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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'rauf' and Initial = 'mk'   
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))
BDBM50187512
PNG
(CHEMBL3827984)
Show SMILES Cc1cc(C)c(NC(=S)NC(=O)c2cccc(Cl)c2)c(C)c1
Show InChI InChI=1S/C17H17ClN2OS/c1-10-7-11(2)15(12(3)8-10)19-17(22)20-16(21)13-5-4-6-14(18)9-13/h4-9H,1-3H3,(H2,19,20,21,22)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187562
PNG
(CHEMBL3827593)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(6-9)13(20)19-14(21)18-12-5-4-10(16)7-11(12)17/h1-7H,(H2,18,19,20,21)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443467
PNG
(CHEMBL1974674)
Show SMILES Clc1cc(Cl)c(NC(=S)NC(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-6-10(16)12(11(17)7-9)18-14(21)19-13(20)8-4-2-1-3-5-8/h1-7H,(H2,18,19,20,21)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187561
PNG
(CHEMBL3827501)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-4-1-3-8(7-9)13(20)19-14(21)18-11-6-2-5-10(16)12(11)17/h1-7H,(H2,18,19,20,21)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187558
PNG
(CHEMBL3828565)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1ncccn1
Show InChI InChI=1S/C12H9ClN4OS/c13-9-4-1-3-8(7-9)10(18)16-12(19)17-11-14-5-2-6-15-11/h1-7H,(H2,14,15,16,17,18,19)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187551
PNG
(CHEMBL3828756)
Show SMILES FC(F)(F)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C15H10ClF3N2OS/c16-11-5-1-3-9(7-11)13(22)21-14(23)20-12-6-2-4-10(8-12)15(17,18)19/h1-8H,(H2,20,21,22,23)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187554
PNG
(CHEMBL3827183)
Show SMILES Fc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H10ClFN2OS/c15-10-3-1-2-9(8-10)13(19)18-14(20)17-12-6-4-11(16)5-7-12/h1-8H,(H2,17,18,19,20)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443490
PNG
(CHEMBL3087552)
Show SMILES Cc1cccc(NC(=S)NC(=O)c2ccccc2)c1C
Show InChI InChI=1S/C16H16N2OS/c1-11-7-6-10-14(12(11)2)17-16(20)18-15(19)13-8-4-3-5-9-13/h3-10H,1-2H3,(H2,17,18,19,20)
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n/an/a 3.17E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187559
PNG
(CHEMBL3827899)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1ccccc1
Show InChI InChI=1S/C14H11ClN2OS/c15-11-6-4-5-10(9-11)13(18)17-14(19)16-12-7-2-1-3-8-12/h1-9H,(H2,16,17,18,19)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443482
PNG
(CHEMBL3087540)
Show SMILES Fc1cccc(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11FN2OS/c15-11-7-4-8-12(9-11)16-14(19)17-13(18)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19)
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n/an/a 3.52E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187583
PNG
(CHEMBL3828346)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl4N2OS/c15-8-3-1-2-7(4-8)13(21)20-14(22)19-12-10(17)5-9(16)6-11(12)18/h1-6H,(H2,19,20,21,22)
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n/an/a 3.64E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187516
PNG
(CHEMBL3827414)
Show SMILES COc1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2O2S/c1-20-13-8-3-2-7-12(13)17-15(21)18-14(19)10-5-4-6-11(16)9-10/h2-9H,1H3,(H2,17,18,19,21)
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n/an/a 3.79E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443470
PNG
(CHEMBL3087547)
Show SMILES Clc1cccc(Cl)c1NC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(16)12(10)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187511
PNG
(CHEMBL3827344)
Show SMILES Cc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C16H15ClN2OS/c1-10-5-3-8-14(11(10)2)18-16(21)19-15(20)12-6-4-7-13(17)9-12/h3-9H,1-2H3,(H2,18,19,20,21)
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n/an/a 4.45E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443471
PNG
(CHEMBL2236349)
Show SMILES Clc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-6-7-11(16)12(8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
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n/an/a 4.54E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187564
PNG
(CHEMBL3827068)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-4-1-3-8(7-9)13(20)19-14(21)18-12-10(16)5-2-6-11(12)17/h1-7H,(H2,18,19,20,21)
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n/an/a 5.38E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443469
PNG
(CHEMBL3087548)
Show SMILES Clc1ccc(NC(=S)NC(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C14H10Cl2N2OS/c15-11-7-6-10(8-12(11)16)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
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n/an/a 5.51E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187550
PNG
(CHEMBL3827341)
Show SMILES FC(F)(F)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClF3N2OS/c16-10-5-3-4-9(8-10)13(22)21-14(23)20-12-7-2-1-6-11(12)15(17,18)19/h1-8H,(H2,20,21,22,23)
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n/an/a 5.58E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443489
PNG
(CHEMBL3087553)
Show SMILES Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)
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n/an/a 6.23E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187514
PNG
(CHEMBL3827052)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1ccc(Br)cc1Br
Show InChI InChI=1S/C14H9Br2ClN2OS/c15-9-4-5-12(11(16)7-9)18-14(21)19-13(20)8-2-1-3-10(17)6-8/h1-7H,(H2,18,19,20,21)
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n/an/a 6.32E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187581
PNG
(CHEMBL3828387)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21)
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n/an/a 6.53E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187552
PNG
(CHEMBL3828020)
Show SMILES FC(F)(F)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H10ClF3N2OS/c16-11-3-1-2-9(8-11)13(22)21-14(23)20-12-6-4-10(5-7-12)15(17,18)19/h1-8H,(H2,20,21,22,23)
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n/an/a 7.04E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187582
PNG
(CHEMBL3828309)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl4N2OS/c15-8-3-1-2-7(4-8)13(21)20-14(22)19-12-6-10(17)9(16)5-11(12)18/h1-6H,(H2,19,20,21,22)
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n/an/a 7.41E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443483
PNG
(CHEMBL3087539)
Show SMILES Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C17H18N2OS/c1-11-9-12(2)15(13(3)10-11)18-17(21)19-16(20)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,18,19,20,21)
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n/an/a 8.11E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443479
PNG
(CHEMBL3087541)
Show SMILES O=C(NC(=S)Nc1ncccn1)c1ccccc1
Show InChI InChI=1S/C12H10N4OS/c17-10(9-5-2-1-3-6-9)15-12(18)16-11-13-7-4-8-14-11/h1-8H,(H2,13,14,15,16,17,18)
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n/an/a 8.21E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187515
PNG
(CHEMBL3827835)
Show SMILES [O-][N+](=O)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3O3S/c15-10-5-3-4-9(8-10)13(19)17-14(22)16-11-6-1-2-7-12(11)18(20)21/h1-8H,(H2,16,17,19,22)
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n/an/a 8.59E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187563
PNG
(CHEMBL3828544)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(6-9)13(20)19-14(21)18-12-7-10(16)4-5-11(12)17/h1-7H,(H2,18,19,20,21)
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n/an/a 9.72E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187560
PNG
(CHEMBL3827717)
Show SMILES Clc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-4-6-12(7-5-10)17-14(20)18-13(19)9-2-1-3-11(16)8-9/h1-8H,(H2,17,18,19,20)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443486
PNG
(CHEMBL3087556)
Show SMILES FC(F)(F)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-6-8-12(9-7-11)19-14(22)20-13(21)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187510
PNG
(CHEMBL3827287)
Show SMILES Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H13ClN2OS/c1-10-5-7-13(8-6-10)17-15(20)18-14(19)11-3-2-4-12(16)9-11/h2-9H,1H3,(H2,17,18,19,20)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187553
PNG
(CHEMBL3828203)
Show SMILES CCc1cccc(CC)c1NC(=S)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN2OS/c1-3-12-7-5-8-13(4-2)16(12)20-18(23)21-17(22)14-9-6-10-15(19)11-14/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443488
PNG
(CHEMBL3087554)
Show SMILES COc1cccc(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H14N2O2S/c1-19-13-9-5-8-12(10-13)16-15(20)17-14(18)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,18,20)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443472
PNG
(CHEMBL3087546)
Show SMILES Clc1ccc(NC(=S)NC(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-6-7-12(11(16)8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443477
PNG
(N-(Phenylcarbamothioyl)Benzamide)
Show SMILES O=C(NC(=S)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187557
PNG
(CHEMBL3828702)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)NC1CCCCC1
Show InChI InChI=1S/C14H17ClN2OS/c15-11-6-4-5-10(9-11)13(18)17-14(19)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H2,16,17,18,19)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187556
PNG
(CHEMBL1448267)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)NCc1ccccc1
Show InChI InChI=1S/C15H13ClN2OS/c16-13-8-4-7-12(9-13)14(19)18-15(20)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,18,19,20)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187555
PNG
(CHEMBL3827841)
Show SMILES CN(C(=S)NC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C15H13ClN2OS/c1-18(13-8-3-2-4-9-13)15(20)17-14(19)11-6-5-7-12(16)10-11/h2-10H,1H3,(H,17,19,20)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443468
PNG
(CHEMBL3087549)
Show SMILES Clc1cc(Cl)cc(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-6-11(16)8-12(7-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50187513
PNG
(CHEMBL3827087)
Show SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H10BrClN2OS/c15-10-4-2-6-12(8-10)17-14(20)18-13(19)9-3-1-5-11(16)7-9/h1-8H,(H2,17,18,19,20)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
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 2.23E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
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 2.23E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method


Bioorg Med Chem 24: 4452-4463 (2016)


Article DOI: 10.1016/j.bmc.2016.07.042
BindingDB Entry DOI: 10.7270/Q2VX0JF4
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443475
PNG
(CHEMBL3087544)
Show SMILES Clc1cccc(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11ClN2OS/c15-11-7-4-8-12(9-11)16-14(19)17-13(18)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19)
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n/an/a 2.73E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443481
PNG
(CHEMBL1478462 | N-(Benzylcarbamothioyl)Benzamide)
Show SMILES O=C(NC(=S)NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19)
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n/an/a 2.74E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443473
PNG
(CHEMBL3087545)
Show SMILES Clc1cccc(NC(=S)NC(=O)c2ccccc2)c1Cl
Show InChI InChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(12(10)16)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20)
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n/an/a 3.22E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443474
PNG
(CHEMBL1450561)
Show SMILES Clc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11ClN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
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n/an/a 3.53E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443478
PNG
(CHEMBL3087542)
Show SMILES Clc1ccccc1CNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H13ClN2OS/c16-13-9-5-4-8-12(13)10-17-15(20)18-14(19)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20)
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n/an/a 3.53E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443487
PNG
(CHEMBL3087555)
Show SMILES FC(F)(F)c1ccccc1NC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-8-4-5-9-12(11)19-14(22)20-13(21)10-6-2-1-3-7-10/h1-9H,(H2,19,20,21,22)
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n/an/a 3.82E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443491
PNG
(CHEMBL3087551)
Show SMILES FC(F)(F)c1cccc(NC(=S)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)
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n/an/a 3.96E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443484
PNG
(CHEMBL3087538)
Show SMILES Fc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11FN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
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n/an/a 4.12E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50443476
PNG
(CHEMBL3087543)
Show SMILES Clc1ccccc1NC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)
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n/an/a 4.12E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 70: 487-96 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.012
BindingDB Entry DOI: 10.7270/Q2W097DC
More data for this
Ligand-Target Pair
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