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PubMed code 26081763

Compile data set for download or QSAR
Found 20 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))
BDBM50106912
PNG
(CHEMBL3601761)
Show SMILES OC(=O)c1ccc(cc1NC=C1C(=O)NC(=S)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c17-9-7(10(18)15-12(23)14-9)4-13-8-3-5(16(21)22)1-2-6(8)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,23)
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n/an/a 8.53E+3n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106914
PNG
(CHEMBL3601759)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1
Show InChI InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 8.93E+3n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106916
PNG
(CHEMBL3601757)
Show SMILES OC(=O)c1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C12H9N3O4S/c16-9-7(10(17)15-12(20)14-9)5-13-8-4-2-1-3-6(8)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106878
PNG
(CHEMBL3601773)
Show SMILES Sc1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O2S2/c15-9-6(10(16)14-11(18)13-9)5-12-7-3-1-2-4-8(7)17/h1-5,12,17H,(H2,13,14,15,16,18)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106911
PNG
(CHEMBL3601762)
Show SMILES OC(=O)c1ccc(O)c(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H9N3O5S/c16-8-2-1-5(11(19)20)3-7(8)13-4-6-9(17)14-12(21)15-10(6)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 1.89E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106879
PNG
(CHEMBL3601772)
Show SMILES Oc1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-8-4-2-1-3-7(8)12-5-6-9(16)13-11(18)14-10(6)17/h1-5,12,15H,(H2,13,14,16,17,18)
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n/an/a 1.97E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
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 2.10E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106915
PNG
(CHEMBL3601758)
Show SMILES OC(=O)c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-2-6(4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
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n/an/a 2.18E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106906
PNG
(CHEMBL3601767)
Show SMILES FC(F)(F)c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)6-2-1-3-7(4-6)16-5-8-9(19)17-11(21)18-10(8)20/h1-5,16H,(H2,17,18,19,20,21)
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n/an/a 2.46E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106917
PNG
(CHEMBL3601756)
Show SMILES OC(=O)c1cc(NC=C2C(=O)NC(=O)NC2=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O7/c17-9-7(10(18)15-12(21)14-9)4-13-5-1-2-8(16(22)23)6(3-5)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 2.58E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106909
PNG
(CHEMBL3601764)
Show SMILES OC(=O)c1ccc(Cl)c(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C12H8ClN3O4S/c13-7-2-1-5(11(19)20)3-8(7)14-4-6-9(17)15-12(21)16-10(6)18/h1-4,14H,(H,19,20)(H2,15,16,17,18,21)
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n/an/a 2.67E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106904
PNG
(CHEMBL3601769)
Show SMILES [O-][N+](=O)c1ccc(c(NC=C2C(=O)NC(=S)NC2=O)c1)C(F)(F)F
Show InChI InChI=1S/C12H7F3N4O4S/c13-12(14,15)7-2-1-5(19(22)23)3-8(7)16-4-6-9(20)17-11(24)18-10(6)21/h1-4,16H,(H2,17,18,20,21,24)
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n/an/a 2.87E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106913
PNG
(CHEMBL3601760)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1O
Show InChI InChI=1S/C12H9N3O5S/c16-8-3-5(1-2-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 3.23E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106910
PNG
(CHEMBL3601763)
Show SMILES OC(=O)c1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c17-9-7(10(18)15-12(23)14-9)4-13-5-1-2-8(16(21)22)6(3-5)11(19)20/h1-4,13H,(H,19,20)(H2,14,15,17,18,23)
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n/an/a 3.98E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106880
PNG
(CHEMBL3601771)
Show SMILES Ic1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H8IN3O2S/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5,13H,(H2,14,15,16,17,18)
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n/an/a 4.13E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106908
PNG
(CHEMBL3601765)
Show SMILES Sc1ccccc1NC=C1C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-9-6(10(16)14-11(17)13-9)5-12-7-3-1-2-4-8(7)18/h1-5,12,18H,(H2,13,14,15,16,17)
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n/an/a 5.26E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106907
PNG
(CHEMBL3601766)
Show SMILES FC(F)(F)c1ccccc1NC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-1-2-4-8(7)16-5-6-9(19)17-11(21)18-10(6)20/h1-5,16H,(H2,17,18,19,20,21)
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n/an/a 6.53E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106918
PNG
(CHEMBL3601372)
Show SMILES OC(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1O
Show InChI InChI=1S/C12H9N3O6/c16-8-3-5(1-2-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)
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n/an/a 8.83E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106881
PNG
(CHEMBL3601770)
Show SMILES Clc1cc(Cl)cc(NC=C2C(=O)NC(=S)NC2=O)c1
Show InChI InChI=1S/C11H7Cl2N3O2S/c12-5-1-6(13)3-7(2-5)14-4-8-9(17)15-11(19)16-10(8)18/h1-4,14H,(H2,15,16,17,18,19)
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n/an/a 8.92E+4n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50106905
PNG
(CHEMBL3601768)
Show SMILES FC(F)(F)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)16-5-8-9(19)17-11(21)18-10(8)20/h1-5,16H,(H2,17,18,19,20,21)
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n/an/a 1.36E+5n/an/an/an/an/an/a



The Islamia University of Bahawalpur

Curated by ChEMBL


Assay Description
Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method


Bioorg Med Chem 23: 6049-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.038
BindingDB Entry DOI: 10.7270/Q2V40WZ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%