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Compile Data Set for Download or QSAR

Found 217 hits of ic50 data for polymerid = 6985   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50019283
PNG
(CHEMBL3289121)
Show SMILES CCOc1ccccc1-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-2-20-14-10-6-4-8-12(14)15-17-13-9-5-3-7-11(13)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
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n/an/a 700n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50019166
PNG
(CHEMBL336718)
Show SMILES COc1ccc(cc1)-c1nc(O)c2ccccc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233861
PNG
(CHEMBL4084524)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(F)c(F)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClF2N3O4/c1-7-17-6-12(19(21)22)18(7)2-3-23-13(20)8-4-10(15)11(16)5-9(8)14/h4-6H,2-3H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277802
PNG
(CHEMBL4172107)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C15H10Cl2N2O3S/c16-9-7-11(17)15(20)14(8-9)23(21,22)19-13-5-1-4-12-10(13)3-2-6-18-12/h1-8,19-20H
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008884
PNG
(CHEMBL3237329)
Show SMILES Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c(O)c1
Show InChI InChI=1S/C23H16Br2N2O2/c24-12-1-5-20-16(7-12)18(10-26-20)23(15-4-3-14(28)9-22(15)29)19-11-27-21-6-2-13(25)8-17(19)21/h1-11,23,26-29H
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50019285
PNG
(CHEMBL3289122)
Show SMILES COc1ccc(O)c(c1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O3/c1-20-9-6-7-13(18)11(8-9)14-16-12-5-3-2-4-10(12)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008901
PNG
(CHEMBL2430239)
Show SMILES Oc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H16Br2N2O/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(28)6-2-13)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-28H
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n/an/a 1.86E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233856
PNG
(CHEMBL4092265)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc2ccccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O4/c1-10-16-9-14(19(21)22)18(10)6-7-23-15(20)13-8-11-4-2-3-5-12(11)17-13/h2-5,8-9,17H,6-7H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277979
PNG
(CHEMBL4167683)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C15H10Cl2N2O2S/c16-10-6-7-15(12(17)9-10)22(20,21)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50092444
PNG
(CHEMBL3586121)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O
Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50160569
PNG
(CHEMBL3785671)
Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccccc2Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20)
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n/an/a 2.16E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM193670
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4,...)
Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C24H14Cl6N2O4S4/c25-13-9-17(29)23(11-15(13)27)39(33,34)31-19-5-1-3-7-21(19)37-38-22-8-4-2-6-20(22)32-40(35,36)24-12-16(28)14(26)10-18(24)30/h1-12,31-32H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...


Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484065
PNG
(CHEMBL1808311)
Show SMILES Oc1cc(O)c(cc1O)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NO3S/c15-9-6-11(17)10(16)5-7(9)13-14-8-3-1-2-4-12(8)18-13/h1-6,15-17H
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n/an/a 2.26E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008904
PNG
(CHEMBL3237336)
Show SMILES COc1cccc(C(c2c[nH]c3ccc(cc23)C#N)c2c[nH]c3ccc(cc23)C#N)c1O
Show InChI InChI=1S/C26H18N4O2/c1-32-24-4-2-3-17(26(24)31)25(20-13-29-22-7-5-15(11-27)9-18(20)22)21-14-30-23-8-6-16(12-28)10-19(21)23/h2-10,13-14,25,29-31H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50019170
PNG
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Show SMILES COc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O3/c1-20-13-7-6-9(8-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008903
PNG
(CHEMBL3237335)
Show SMILES Oc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H15Br2ClN2O/c24-12-1-4-20-15(7-12)18(10-27-20)23(17-9-14(26)3-6-22(17)29)19-11-28-21-5-2-13(25)8-16(19)21/h1-11,23,27-29H
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222109
PNG
((E)-4-(3-Nitrophenyl)-2-(2-(pyren-1-ylmethylene)hy...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(N\N=C\c2ccc3ccc4cccc5ccc2c3c45)n1
Show InChI InChI=1S/C26H16N4O2S/c31-30(32)21-6-2-5-19(13-21)23-15-33-26(28-23)29-27-14-20-10-9-18-8-7-16-3-1-4-17-11-12-22(20)25(18)24(16)17/h1-15H,(H,28,29)/b27-14+
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222114
PNG
((E)-2-(2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazo...)
Show SMILES Oc1ccccc1-c1csc(N\N=C\c2ccc3ccc4cccc5ccc2c3c45)n1
Show InChI InChI=1S/C26H17N3OS/c30-23-7-2-1-6-21(23)22-15-31-26(28-22)29-27-14-19-11-10-18-9-8-16-4-3-5-17-12-13-20(19)25(18)24(16)17/h1-15,30H,(H,28,29)/b27-14+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM193667
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4-...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C24H16N6O12S4/c31-27(32)15-9-11-23(19(13-15)29(35)36)45(39,40)25-17-5-1-3-7-21(17)43-44-22-8-4-2-6-18(22)26-46(41,42)24-12-10-16(28(33)34)14-20(24)30(37)38/h1-14,25-26H
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n/an/a 3.34E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...


Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233864
PNG
(CHEMBL4067308)
Show SMILES Cc1ncc(n1CCOC(=O)c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11Cl2N3O4/c1-8-16-7-12(18(20)21)17(8)4-5-22-13(19)9-2-3-10(14)11(15)6-9/h2-3,6-7H,4-5H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222116
PNG
((E)-2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazol-4...)
Show SMILES O=C1CSC(N\N=C\c2ccc3ccc4cccc5ccc2c3c45)=N1 |c:27|
Show InChI InChI=1S/C20H13N3OS/c24-17-11-25-20(22-17)23-21-10-15-7-6-14-5-4-12-2-1-3-13-8-9-16(15)19(14)18(12)13/h1-10H,11H2,(H,22,23,24)/b21-10+
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50160575
PNG
(CHEMBL3786740)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C15H11Cl2N3OS/c1-21-11-5-2-9(3-6-11)14-19-20-15(22-14)18-10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)
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n/an/a 4.16E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484063
PNG
(CHEMBL1650632)
Show SMILES Oc1ccccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
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n/an/a 4.23E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008905
PNG
(CHEMBL3237340)
Show SMILES COc1cc(ccc1O)C(c1c[nH]c2ccc(cc12)C#N)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C26H18N4O2/c1-32-25-10-17(4-7-24(25)31)26(20-13-29-22-5-2-15(11-27)8-18(20)22)21-14-30-23-6-3-16(12-28)9-19(21)23/h2-10,13-14,26,29-31H,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM152561
PNG
(2-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)phenol (1...)
Show SMILES Oc1ccccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H8Cl2N2O/c14-7-5-9(15)12-10(6-7)16-13(17-12)8-3-1-2-4-11(8)18/h1-6,18H,(H,16,17)
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n/an/a 4.48E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...


Bioorg Chem 61: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.010
BindingDB Entry DOI: 10.7270/Q2HH6HTP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277980
PNG
(CHEMBL4165343)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C15H10Cl2N2O2S/c16-10-6-7-12(17)15(9-10)22(20,21)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50160567
PNG
(CHEMBL3787430)
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 4.88E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222103
PNG
((E)-2-(Pyren-1-ylmethylene)hydrazine-1-carbothioam...)
Show SMILES NC(=S)N\N=C\c1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C18H13N3S/c19-18(22)21-20-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,(H3,19,21,22)/b20-10+
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM45890
PNG
(2,5-bis(chloranyl)-N-quinolin-3-yl-benzenesulfonam...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H10Cl2N2O2S/c16-11-5-6-13(17)15(8-11)22(20,21)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9,19H
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity by inhibition histamine H2 receptor from rats.


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277965
PNG
(CHEMBL3969674)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H10Cl2N2O2S/c16-11-6-7-14(12(17)9-11)22(20,21)19-13-5-1-3-10-4-2-8-18-15(10)13/h1-9,19H
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222112
PNG
((E)-4-(3,4-Dichlorophenyl)-2-(2-(pyren-1-ylmethyle...)
Show SMILES Clc1ccc(cc1Cl)-c1csc(N\N=C\c2ccc3ccc4cccc5ccc2c3c45)n1
Show InChI InChI=1S/C26H15Cl2N3S/c27-21-11-9-18(12-22(21)28)23-14-32-26(30-23)31-29-13-19-7-6-17-5-4-15-2-1-3-16-8-10-20(19)25(17)24(15)16/h1-14H,(H,30,31)/b29-13+
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233876
PNG
(CHEMBL4096282)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H11Cl2N3O4/c1-8-16-7-12(18(20)21)17(8)4-5-22-13(19)10-6-9(14)2-3-11(10)15/h2-3,6-7H,4-5H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM193657
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-fl...)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H18F2N2O4S4/c25-17-9-1-7-15-23(17)35(29,30)27-19-11-3-5-13-21(19)33-34-22-14-6-4-12-20(22)28-36(31,32)24-16-8-2-10-18(24)26/h1-16,27-28H
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n/an/a 6.23E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...


Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50160574
PNG
(CHEMBL3785548)
Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3S/c15-11-7-6-10(8-12(11)16)17-14-19-18-13(20-14)9-4-2-1-3-5-9/h1-8H,(H,17,19)
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n/an/a 6.28E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233869
PNG
(CHEMBL4097214)
Show SMILES Cc1ncc(n1CCOC(=O)c1ccc(F)cc1Br)[N+]([O-])=O
Show InChI InChI=1S/C13H11BrFN3O4/c1-8-16-7-12(18(20)21)17(8)4-5-22-13(19)10-3-2-9(15)6-11(10)14/h2-3,6-7H,4-5H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233873
PNG
(CHEMBL4071944)
Show SMILES Clc1ccc(cc1Cl)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H8Cl2N2/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
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n/an/a 6.33E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277963
PNG
(CHEMBL4171503)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C15H10N2O5S/c18-17(19)12-7-1-2-9-14(12)23(20,21)22-13-8-3-5-11-6-4-10-16-15(11)13/h1-10H
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50046957
PNG
(CHEBI:66441 | SCOPARIC ACID A)
Show SMILES [H][C@@]12[C@@H](CC(=C)[C@@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)C(O)=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23-,26-,27-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase


J Nat Prod 55: 1748-55 (1992)


Article DOI: 10.1021/np50090a005
BindingDB Entry DOI: 10.7270/Q2CJ8H9T
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50129852
PNG
(CHEMBL3628915)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2O)cc1O
Show InChI InChI=1S/C23H18N4O5/c1-31-20-11-6-14(12-19(20)29)13-24-25-21(30)15-7-9-16(10-8-15)22-26-27-23(32-22)17-4-2-3-5-18(17)28/h2-13,28-29H,1H3,(H,25,30)/b24-13+
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n/an/a 7.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate assessed as p-nitrophenol formation after 30 mins b...


Bioorg Med Chem 23: 7394-404 (2015)


Article DOI: 10.1016/j.bmc.2015.10.037
BindingDB Entry DOI: 10.7270/Q2765H56
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50160570
PNG
(CHEMBL3787019)
Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C14H8BrCl2N3S/c15-9-3-1-8(2-4-9)13-19-20-14(21-13)18-10-5-6-11(16)12(17)7-10/h1-7H,(H,18,20)
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n/an/a 7.16E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...


Bioorg Med Chem 24: 1909-18 (2016)


Article DOI: 10.1016/j.bmc.2016.03.020
BindingDB Entry DOI: 10.7270/Q28917RB
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233868
PNG
(CHEMBL4100978)
Show SMILES Cc1ncc(n1CCOC(=O)c1ccc(c(C)c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O6/c1-9-7-11(3-4-12(9)17(20)21)14(19)24-6-5-16-10(2)15-8-13(16)18(22)23/h3-4,7-8H,5-6H2,1-2H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233863
PNG
(CHEMBL4078230)
Show SMILES Cc1ncc(n1CCOC(=O)c1cccc(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H12FN3O4/c1-9-15-8-12(17(19)20)16(9)5-6-21-13(18)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277804
PNG
(CHEMBL4163673)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N3O4S/c19-18(20)14-7-3-4-8-15(14)23(21,22)17-12-9-11-5-1-2-6-13(11)16-10-12/h1-10,17H
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM193654
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-ch...)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H18Cl2N2O4S4/c25-17-9-1-7-15-23(17)35(29,30)27-19-11-3-5-13-21(19)33-34-22-14-6-4-12-20(22)28-36(31,32)24-16-8-2-10-18(24)26/h1-16,27-28H
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n/an/a 8.18E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...


Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233855
PNG
(CHEMBL4095662)
Show SMILES Cc1ncc(n1CCOC(=O)c1ccc2ncsc2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4S/c1-9-15-7-13(18(20)21)17(9)4-5-22-14(19)10-2-3-11-12(6-10)23-8-16-11/h2-3,6-8H,4-5H2,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277925
PNG
(CHEMBL4174351)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H10Cl2N2O2S/c16-11-5-6-15(13(17)8-11)22(20,21)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9,19H
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity by inhibition histamine H2 receptor from rats.


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM222115
PNG
((E)-3-(2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazo...)
Show SMILES Oc1cccc(c1)-c1csc(N\N=C\c2ccc3ccc4cccc5ccc2c3c45)n1
Show InChI InChI=1S/C26H17N3OS/c30-21-6-2-5-19(13-21)23-15-31-26(28-23)29-27-14-20-10-9-18-8-7-16-3-1-4-17-11-12-22(20)25(18)24(16)17/h1-15,30H,(H,28,29)/b27-14+
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the sp...


Bioorg Chem 70: 199-209 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.011
BindingDB Entry DOI: 10.7270/Q2VH5MQ9
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484066
PNG
(CHEMBL1808308)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-11(16)9(7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50233859
PNG
(CHEMBL4074226)
Show SMILES Cc1ncc(n1CCOC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...


Eur J Med Chem 125: 1289-1299 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.031
BindingDB Entry DOI: 10.7270/Q2125VXZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
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