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Patent code US9447057

Compile Data Set for Download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
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+
PDB
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UniChem
US Patent
3.82E+3n/a 2.80E+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, ...


Citation and Details
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



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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, ...


Citation and Details
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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US Patent
8.22E+3n/a 8.80E+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, ...


Citation and Details
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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US Patent
9.23E+3n/a 1.12E+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, ...


Citation and Details
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



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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, ...


Citation and Details
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



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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, ...


Citation and Details
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, ...


Citation and Details
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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US Patent
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, ...


Citation and Details
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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US Patent
1.36E+4n/a 7.60E+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, ...


Citation and Details
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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US Patent
1.48E+4n/a 1.78E+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, ...


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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US Patent
2.00E+4n/a 2.10E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246431
PNG
(US9447057, 18)
Show SMILES CSc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2S2/c1-20-15-9-7-13(8-10-15)11-18-17-19-16(12-21-17)14-5-3-2-4-6-14/h2-12H,1H3/b18-11+
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US Patent
n/an/a 6.96E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246441
PNG
(US9447057, 28)
Show SMILES [O-][N+](=O)c1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C16H11N3O2S/c20-19(21)14-8-4-5-12(9-14)10-17-16-18-15(11-22-16)13-6-2-1-3-7-13/h1-11H/b17-10+
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US Patent
n/an/a 1.05E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246437
PNG
(US9447057, 24)
Show SMILES COc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C18H16N2O2S/c1-21-16-9-8-13(10-17(16)22-2)11-19-18-20-15(12-23-18)14-6-4-3-5-7-14/h3-12H,1-2H3/b19-11+
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US Patent
n/an/a 1.13E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246429
PNG
(US9447057, 16)
Show SMILES Oc1ccccc1\C=N\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H12N2OS/c19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12/h1-11,19H/b17-10+
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US Patent
n/an/a 1.24E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246433
PNG
(US9447057, 20)
Show SMILES Clc1ccccc1\C=N\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11ClN2S/c17-14-9-5-4-8-13(14)10-18-16-19-15(11-20-16)12-6-2-1-3-7-12/h1-11H/b18-10+
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US Patent
n/an/a 1.30E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246432
PNG
(US9447057, 19)
Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-16-18-15(12-19-16)14-9-5-2-6-10-14/h1-12H/b17-11+
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US Patent
n/an/a 1.68E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246435
PNG
(US9447057, 22)
Show SMILES Fc1ccccc1\C=N\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11FN2S/c17-14-9-5-4-8-13(14)10-18-16-19-15(11-20-16)12-6-2-1-3-7-12/h1-11H/b18-10+
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US Patent
n/an/a 1.79E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246439
PNG
(US9447057, 26)
Show SMILES Clc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H11ClN2S/c17-14-8-6-12(7-9-14)10-18-16-19-15(11-20-16)13-4-2-1-3-5-13/h1-11H/b18-10+
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US Patent
n/an/a 1.90E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246436
PNG
(US9447057, 23)
Show SMILES Oc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C16H12N2O2S/c19-14-8-4-7-12(15(14)20)9-17-16-18-13(10-21-16)11-5-2-1-3-6-11/h1-10,19-20H/b17-9+
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n/an/a 1.96E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246426
PNG
(US9447057, 12)
Show SMILES Oc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2OS/c19-14-8-6-12(7-9-14)10-17-16-18-15(11-20-16)13-4-2-1-3-5-13/h1-11,19H/b17-10+
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n/an/a 2.02E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246428
PNG
(US9447057, 14)
Show SMILES CN(C)c1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H17N3S/c1-21(2)16-10-8-14(9-11-16)12-19-18-20-17(13-22-18)15-6-4-3-5-7-15/h3-13H,1-2H3/b19-12+
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n/an/a 2.04E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246444
PNG
(US9447057, 15)
Show SMILES CCC=Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C12H12N2S/c1-2-8-13-12-14-11(9-15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b13-8+
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US Patent
n/an/a 2.04E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246427
PNG
(US9447057, 13)
Show SMILES COc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2OS/c1-20-15-9-7-13(8-10-15)11-18-17-19-16(12-21-17)14-5-3-2-4-6-14/h2-12H,1H3/b18-11+
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US Patent
n/an/a 2.23E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246438
PNG
(US9447057, 25)
Show SMILES Clc1cccc(Cl)c1\C=N\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H10Cl2N2S/c17-13-7-4-8-14(18)12(13)9-19-16-20-15(10-21-16)11-5-2-1-3-6-11/h1-10H/b19-9+
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UniChem
US Patent
n/an/a 2.23E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246434
PNG
(US9447057, 21)
Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1cccc2ccccc12
Show InChI InChI=1S/C20H14N2S/c1-2-8-16(9-3-1)19-14-23-20(22-19)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H/b21-13+
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.31E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246440
PNG
(US9447057, 27)
Show SMILES COCc1c(\C=N\c2nc(cs2)-c2ccccc2)ccc(OC)c1OC
Show InChI InChI=1S/C20H20N2O3S/c1-23-12-16-15(9-10-18(24-2)19(16)25-3)11-21-20-22-17(13-26-20)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3/b21-11+
PDB
MMDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.46E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246425
PNG
(US9447057, 11)
Show SMILES [O-][N+](=O)c1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H11N3O2S/c20-19(21)14-8-6-12(7-9-14)10-17-16-18-15(11-22-16)13-4-2-1-3-5-13/h1-11H/b17-10+
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
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UniChem
US Patent
n/an/a 3.25E+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, ...


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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM246430
PNG
(US9447057, 17)
Show SMILES COc1ccc(\C=C\C=N\c2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2OS/c1-22-17-11-9-15(10-12-17)6-5-13-20-19-21-18(14-23-19)16-7-3-2-4-8-16/h2-14H,1H3/b6-5+,20-13+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.67E+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, ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%