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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'al muqarrabin' and Initial = 'lm'   
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
Beta-glucuronidase (β-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 無...


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 (β-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 無...


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 (β-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 無...


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 (β-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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193668
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4-...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H16Cl4N2O4S4/c25-15-9-11-23(17(27)13-15)37(31,32)29-19-5-1-3-7-21(19)35-36-22-8-4-2-6-20(22)30-38(33,34)24-12-10-16(26)14-18(24)28/h1-14,29-30H
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n/an/a 1.13E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193659
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(4-fl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H18F2N2O4S4/c25-17-9-13-19(14-10-17)35(29,30)27-21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)28-36(31,32)20-15-11-18(26)12-16-20/h1-16,27-28H
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n/an/a 1.32E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193663
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-ni...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C24H18N4O8S4/c29-27(30)19-11-3-7-15-23(19)39(33,34)25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)26-40(35,36)24-16-8-4-12-20(24)28(31)32/h1-16,25-26H
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n/an/a 1.42E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193656
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(3-ch...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O4S4/c25-17-9-13-19(14-10-17)35(29,30)27-21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)28-36(31,32)20-15-11-18(26)12-16-20/h1-16,27-28H
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n/an/a 1.52E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193669
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,5-...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C24H16Cl4N2O4S4/c25-15-9-11-17(27)23(13-15)37(31,32)29-19-5-1-3-7-21(19)35-36-22-8-4-2-6-20(22)30-38(33,34)24-14-16(26)10-12-18(24)28/h1-14,29-30H
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n/an/a 1.62E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193655
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(3-ch...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H18Cl2N2O4S4/c25-17-7-5-9-19(15-17)35(29,30)27-21-11-1-3-13-23(21)33-34-24-14-4-2-12-22(24)28-36(31,32)20-10-6-8-18(26)16-20/h1-16,27-28H
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n/an/a 2.50E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193664
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(4-ni...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H18N4O8S4/c29-27(30)17-9-13-19(14-10-17)39(33,34)25-21-5-1-3-7-23(21)37-38-24-8-4-2-6-22(24)26-40(35,36)20-15-11-18(12-16-20)28(31)32/h1-16,25-26H
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n/an/a 2.84E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193666
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-me...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C26H24N2O4S4/c1-19-11-3-9-17-25(19)35(29,30)27-21-13-5-7-15-23(21)33-34-24-16-8-6-14-22(24)28-36(31,32)26-18-10-4-12-20(26)2/h3-18,27-28H,1-2H3
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n/an/a 3.43E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193658
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(3-fl...)
Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H18F2N2O4S4/c25-17-7-5-9-19(15-17)35(29,30)27-21-11-1-3-13-23(21)33-34-24-14-4-2-12-22(24)28-36(31,32)20-10-6-8-18(26)16-20/h1-16,27-28H
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n/an/a 3.45E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM152586
PNG
(D-Saccharic acid 1,4 lactone | D-Saccharic acid 1,...)
Show SMILES OC(C1OC(=O)C(O)C1O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)
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n/an/a 4.84E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193671
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(4-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H24N2O6S4/c1-33-19-11-15-21(16-12-19)37(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-38(31,32)22-17-13-20(34-2)14-18-22/h3-18,27-28H,1-2H3
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n/an/a 5.63E+4n/an/an/an/an/an/a



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


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193660
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-br...)
Show SMILES Brc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C24H18Br2N2O4S4/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 5.86E+4n/an/an/an/an/an/a



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


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193665
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(3-ni...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H18N4O8S4/c29-27(30)17-7-5-9-19(15-17)39(33,34)25-21-11-1-3-13-23(21)37-38-24-14-4-2-12-22(24)26-40(35,36)20-10-6-8-18(16-20)28(31)32/h1-16,25-26H
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n/an/a 5.93E+4n/an/an/an/an/an/a



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


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193661
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-br...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H18Br2N2O4S4/c25-17-9-13-19(14-10-17)35(29,30)27-21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)28-36(31,32)20-15-11-18(26)12-16-20/h1-16,27-28H
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n/an/a 7.51E+4n/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 無...


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 (β-glucuronidase)


(Bos taurus (Bovine))
BDBM193662
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(3-br...)
Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C24H18Br2N2O4S4/c25-17-7-5-9-19(15-17)35(29,30)27-21-11-1-3-13-23(21)33-34-24-14-4-2-12-22(24)28-36(31,32)20-10-6-8-18(26)16-20/h1-16,27-28H
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n/an/a 8.82E+4n/an/an/an/an/an/a



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


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