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Compile Data Set for Download or QSAR

Found 485 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


Bioorg Med Chem Lett 17: 6387-91 (2007)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Bioorg Med Chem Lett 17: 6387-91 (2007)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Bioorg Med Chem Lett 17: 6387-91 (2007)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Bioorg Med Chem Lett 17: 6387-91 (2007)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Bioorg Med Chem Lett 17: 6387-91 (2007)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

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


Eur J Med Chem 46: 5473-9 (2011)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246417
PNG
(US9447057, 1)
Show SMILES C1C=Cc2ccc3cc(\C=N\c4nc(cs4)-c4ccccc4)cc4CC=C1c2c34
Show InChI InChI=1S/C26H18N2S/c1-2-5-18(6-3-1)23-16-29-26(28-23)27-15-17-13-21-11-9-19-7-4-8-20-10-12-22(14-17)25(21)24(19)20/h1-7,9-11,13-16H,8,12H2/b27-15+
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US Patent
3.82E+3n/a 2.80E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246422
PNG
(US9447057, 8)
Show SMILES Oc1ccc(Cl)cc1\C=N\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11ClN2OS/c17-13-6-7-15(20)12(8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9+
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US Patent
7.89E+3n/a 8.13E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246420
PNG
(US9447057, 6)
Show SMILES COc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C17H14N2O2S/c1-21-15-9-5-8-13(16(15)20)10-18-17-19-14(11-22-17)12-6-3-2-4-7-12/h2-11,20H,1H3/b18-10+
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8.22E+3n/a 8.80E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

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...


Eur J Med Chem 74: 314-23 (2014)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246418
PNG
(US9447057, 4)
Show SMILES CCOc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2OS/c1-2-21-16-10-8-14(9-11-16)12-19-18-20-17(13-22-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b19-12+
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9.23E+3n/a 1.12E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246442
PNG
(US9447057, 2)
Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H13N3S/c1-2-6-13(7-3-1)17-12-22-18(21-17)20-11-14-10-19-16-9-5-4-8-15(14)16/h1-12,19H/b20-11+
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9.60E+3n/a 8.56E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246443
PNG
(US9447057, 3)
Show SMILES CCOc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O2S/c1-2-22-16-10-6-9-14(17(16)21)11-19-18-20-15(12-23-18)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3/b19-11+
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9.70E+3n/a 7.90E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

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...


Eur J Med Chem 74: 314-23 (2014)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246421
PNG
(US9447057, 7)
Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccc2ccccc2c1
Show InChI InChI=1S/C20H14N2S/c1-2-7-17(8-3-1)19-14-23-20(22-19)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-14H/b21-13+
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1.19E+4n/a 9.33E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

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...


Eur J Med Chem 74: 314-23 (2014)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246423
PNG
(US9447057, 9)
Show SMILES CC(C)c1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N2S/c1-14(2)16-10-8-15(9-11-16)12-20-19-21-18(13-22-19)17-6-4-3-5-7-17/h3-14H,1-2H3/b20-12+
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1.24E+4n/a 1.45E+4n/an/an/an/an/an/a



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US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246419
PNG
(US9447057, 5)
Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccncc1
Show InChI InChI=1S/C15H11N3S/c1-2-4-13(5-3-1)14-11-19-15(18-14)17-10-12-6-8-16-9-7-12/h1-11H/b17-10+
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1.36E+4n/a 7.60E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

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 ...


Bioorg Chem 64: 85-96 (2016)

More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246424
PNG
(US9447057, 10)
Show SMILES Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)o1
Show InChI InChI=1S/C15H12N2OS/c1-11-7-8-13(18-11)9-16-15-17-14(10-19-15)12-5-3-2-4-6-12/h2-10H,1H3/b16-9+
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1.48E+4n/a 1.78E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)

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 ...


Bioorg Chem 64: 85-96 (2016)

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 ...


Bioorg Chem 64: 85-96 (2016)

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


Eur J Med Chem 74: 314-23 (2014)

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


Eur J Med Chem 74: 314-23 (2014)

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 ...


Bioorg Chem 64: 85-96 (2016)

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 ...


Bioorg Chem 64: 85-96 (2016)

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


Eur J Med Chem 74: 314-23 (2014)

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 ...


Bioorg Chem 64: 85-96 (2016)

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


Eur J Med Chem 74: 314-23 (2014)

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


Eur J Med Chem 74: 314-23 (2014)

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


Eur J Med Chem 74: 314-23 (2014)

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


Eur J Med Chem 74: 314-23 (2014)

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 ...


Bioorg Chem 64: 85-96 (2016)

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