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Compile Data Set for Download or QSAR

Found 395 hits Enz. Inhib. hit(s) with Target = 'Urease' AND taxid = 3823   
Target
(Institution)
LigandTarget
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))
BDBM50223161
PNG
(1-cyclohexyl-1-isopropyl-3,3-dimethylselenourea | ...)
Show SMILES CC(C)N(C1CCCCC1)C(=[Se])N(C)C
Show InChI InChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
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25n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356190
PNG
(CHEMBL193474)
Show SMILES NC(=[SH+])[N-][N-][CH+]c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H7N4O2S/c9-8(15)11-10-5-6-2-1-3-7(4-6)12(13)14/h1-5H,(H2-,9,11,15)/q-1/p+1
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90n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50223158
PNG
((S)-1,1-dimethyl-3-(1-(naphthalen-1-yl)ethyl)selen...)
Show SMILES C[C@H](NC(=[Se])N(C)C)c1cccc2ccccc12
Show InChI InChI=1S/C15H18N2Se/c1-11(16-15(18)17(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11H,1-3H3,(H,16,18)/t11-/m0/s1
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94n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356195
PNG
(CHEMBL241902)
Show SMILES CN(C)c1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)
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122n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50223159
PNG
(3-dodecyl-1,1-dimethylthiourea | CHEMBL251521)
Show SMILES CCCCCCCCCCCCNC(=S)N(C)C
Show InChI InChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(18)17(2)3/h4-14H2,1-3H3,(H,16,18)
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124n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356192
PNG
(CHEMBL241894)
Show SMILES COc1cccc(C=NNC(N)=S)c1
Show InChI InChI=1S/C9H11N3OS/c1-13-8-4-2-3-7(5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)
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127n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM53627
PNG
(1-[[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-...)
Show SMILES NC(=S)NN=Cc1cccc(O)c1O
Show InChI InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-2-1-3-6(12)7(5)13/h1-4,12-13H,(H3,9,11,14)
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127n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356201
PNG
(CHEMBL1910224)
Show SMILES COc1cc(C=NNC(N)=S)cc(OC)c1O
Show InChI InChI=1S/C10H13N3O3S/c1-15-7-3-6(5-12-13-10(11)17)4-8(16-2)9(7)14/h3-5,14H,1-2H3,(H3,11,13,17)
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134n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50223157
PNG
(3-(4-bromobenzyl)-1,1-dimethylselenourea | CHEMBL3...)
Show SMILES CN(C)C(=[Se])NCc1ccc(Br)cc1
Show InChI InChI=1S/C10H13BrN2Se/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
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135n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356197
PNG
(CHEMBL1910221)
Show SMILES NC(=S)NN=Cc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C15H15N3OS/c16-15(20)18-17-10-13-8-4-5-9-14(13)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H3,16,18,20)
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152n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356186
PNG
(CHEMBL239452)
Show SMILES NC(=S)NN=Cc1ccccc1Cl
Show InChI InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
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170n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356198
PNG
(CHEMBL1910222)
Show SMILES COc1ccc(C=NNC(N)=S)cc1OCc1ccccc1
Show InChI InChI=1S/C16H17N3O2S/c1-20-14-8-7-13(10-18-19-16(17)22)9-15(14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,22)
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191n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50223160
PNG
(3-(4-bromophenyl)-1,1-dimethylthiourea | CHEMBL249...)
Show SMILES CN(C)C(=S)Nc1ccc(Br)cc1
Show InChI InChI=1S/C9H11BrN2S/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
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255n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356199
PNG
(CHEMBL242113)
Show SMILES NC(=S)NN=Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)
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391n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356188
PNG
(CHEMBL391982)
Show SMILES NC(=S)NN=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C8H8ClN3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
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398n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356196
PNG
(CHEMBL1276230)
Show SMILES NC(=S)NN=CC=Cc1ccccc1
Show InChI InChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)
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407n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356202
PNG
(CHEMBL1910225)
Show SMILES CC=CC=NNC(N)=S
Show InChI InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)
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430n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356191
PNG
(CHEMBL193804)
Show SMILES NC(=[SH+])[N-][N-][CH+]c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H7N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H2-,9,11,15)/q-1/p+1
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497n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356187
PNG
(CHEMBL1269725)
Show SMILES NC(=S)NN=Cc1cccc(Cl)c1
Show InChI InChI=1S/C8H8ClN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
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625n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50114665
PNG
(2-(trifluoromethyl)benzaldehyde thiosemicarbazone ...)
Show SMILES NC(=S)NN=Cc1cccc(Br)c1
Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
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670n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356189
PNG
(CHEMBL1910220)
Show SMILES NC(=S)NN=Cc1ccc(Br)cc1
Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
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770n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356193
PNG
(CHEMBL398206)
Show SMILES COc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C9H11N3OS/c1-13-8-4-2-7(3-5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)
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807n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356194
PNG
(CHEMBL499789)
Show SMILES COc1cc(C=NNC(N)=S)cc(OC)c1OC
Show InChI InChI=1S/C11H15N3O3S/c1-15-8-4-7(6-13-14-11(12)18)5-9(16-2)10(8)17-3/h4-6H,1-3H3,(H3,12,14,18)
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910n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448175
PNG
(CHEMBL3120552)
Show SMILES S=C(Nc1ccccc1)Nc1cccnc1
Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
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8.60E+3n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448176
PNG
(CHEMBL3120570)
Show SMILES Clc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C13H9Cl3N2S/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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1.17E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448174
PNG
(CHEMBL3120548)
Show SMILES Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H13ClN2S/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H3,(H2,16,17,18)
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1.21E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Non-competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot ana...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175363
PNG
(Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-nitrophenyl)-...)
Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C15H19N5O4/c1-4-24-14(21)12-9(2)17-15(18-16)19(3)13(12)10-5-7-11(8-6-10)20(22)23/h5-8,13H,4,16H2,1-3H3,(H,17,18)
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1.46E+4n/a 1.50E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175361
PNG
(Methyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-d...)
Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1
Show InChI InChI=1/C15H20N4O2/c1-9-5-7-11(8-6-9)13-12(14(20)21-4)10(2)17-15(18-16)19(13)3/h5-8,13H,16H2,1-4H3,(H,17,18)
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1.51E+4n/a 1.78E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175362
PNG
(Ethyl 2-hydrazinyl-6-(3-hydroxyphenyl)-1,4-dimethy...)
Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1cccc(O)c1
Show InChI InChI=1/C15H20N4O3/c1-4-22-14(21)12-9(2)17-15(18-16)19(3)13(12)10-6-5-7-11(20)8-10/h5-8,13,20H,4,16H2,1-3H3,(H,17,18)
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1.53E+4n/a 1.74E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448177
PNG
(CHEMBL1576403)
Show SMILES Brc1cccc(NC(=S)Nc2ccccc2)c1
Show InChI InChI=1S/C13H11BrN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
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1.56E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448178
PNG
(CHEMBL3120574)
Show SMILES Cc1cccc(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C14H13ClN2S/c1-10-4-2-6-12(8-10)16-14(18)17-13-7-3-5-11(15)9-13/h2-9H,1H3,(H2,16,17,18)
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1.57E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175352
PNG
(Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydr...)
Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1
Show InChI InChI=1/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)
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1.58E+4n/a 3.56E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175353
PNG
(Ethyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetrah...)
Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1
Show InChI InChI=1/C15H18N2O2S/c1-4-19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3,(H2,16,17,20)
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1.60E+4n/a 4.29E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448179
PNG
(CHEMBL1544729)
Show SMILES Fc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H10ClFN2S/c14-9-2-1-3-12(8-9)17-13(18)16-11-6-4-10(15)5-7-11/h1-8H,(H2,16,17,18)
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1.68E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175358
PNG
(Ethyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihyd...)
Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1
Show InChI InChI=1/C15H20N4O2/c1-4-21-14(20)12-10(2)17-15(18-16)19(3)13(12)11-8-6-5-7-9-11/h5-9,13H,4,16H2,1-3H3,(H,17,18)
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1.76E+4n/a 2.08E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448184
PNG
(CHEMBL3120558)
Show SMILES Clc1cccc(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C13H10Cl2N2S/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
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1.81E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448182
PNG
(CHEMBL3120560)
Show SMILES Clc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H10Cl2N2S/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)
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1.81E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448180
PNG
(CHEMBL3120571)
Show SMILES Cc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2S/c1-9-5-6-11(16)8-13(9)18-14(19)17-12-4-2-3-10(15)7-12/h2-8H,1H3,(H2,17,18,19)
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1.85E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448185
PNG
(CHEMBL3120566)
Show SMILES Cc1ccc(C)c(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C15H15ClN2S/c1-10-6-7-11(2)14(8-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
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1.93E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175357
PNG
(Ethyl 6-methyl-4-(p-nitrophenyl)-2-thioxo-1,2,3,4-...)
Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-4-6-10(7-5-9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)
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1.94E+4n/a 4.05E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
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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1.96E+4n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175360
PNG
(Methyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihy...)
Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1
Show InChI InChI=1/C14H18N4O2/c1-9-11(13(19)20-3)12(10-7-5-4-6-8-10)18(2)14(16-9)17-15/h4-8,12H,15H2,1-3H3,(H,16,17)
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1.99E+4n/a 2.36E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
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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2.00E+4n/a 2.10E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
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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2.00E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175355
PNG
(Methyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetra...)
Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1
Show InChI InChI=1/C14H16N2O2S/c1-8-4-6-10(7-5-8)12-11(13(17)18-3)9(2)15-14(19)16-12/h4-7,12H,1-3H3,(H2,15,16,19)
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2.20E+4n/a 4.13E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175354
PNG
(Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahyd...)
Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1
Show InChI InChI=1/C13H14N2O2S/c1-8-10(12(16)17-2)11(15-13(18)14-8)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,15,18)
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2.28E+4n/a 3.60E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175356
PNG
(Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,...)
Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
Show InChI InChI=1/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
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2.57E+4n/a 3.47E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM175359
PNG
(Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-di...)
Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1
Show InChI InChI=1/C16H22N4O2/c1-5-22-15(21)13-11(3)18-16(19-17)20(4)14(13)12-8-6-10(2)7-9-12/h6-9,14H,5,17H2,1-4H3,(H,18,19)
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2.94E+4n/a 2.60E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 無 of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 無 of 100 mM urea dissolved in phosphate buffer (4 ...


Citation and Details
More data for this
Ligand-Target Pair
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/an/an/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...


Citation and Details
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/an/an/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...


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