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PubMed code 26001340

Compile data set for download or QSAR
Found 16 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
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
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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PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092351
PNG
(CHEMBL3586128)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
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n/an/a 3.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092460
PNG
(CHEMBL3586119)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-6-8-16(9-7-15)21-26-27-22(28-21)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,24,25)
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PubMed
n/an/a 4.12E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092465
PNG
(CHEMBL3586113)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C23H18N4O2/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(29-22)17-4-3-5-18(28)12-17/h3-12,28H,1-2H3,(H,24,25)
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PubMed
n/an/a 8.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092464
PNG
(CHEMBL3586114)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N5O3/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(31-22)17-4-3-5-18(12-17)28(29)30/h3-12H,1-2H3,(H,24,25)
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PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092461
PNG
(CHEMBL3586118)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-3-5-16(6-4-15)22-27-28-23(29-22)17-7-9-18(24)10-8-17/h3-12H,1-2H3,(H,25,26)
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PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092463
PNG
(CHEMBL3586115)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092459
PNG
(CHEMBL3586120)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C23H17FN4O/c1-13-10-19-20(11-14(13)2)26-21(25-19)15-6-8-16(9-7-15)22-27-28-23(29-22)17-4-3-5-18(24)12-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092462
PNG
(CHEMBL3586116)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092349
PNG
(CHEMBL3586129)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C20H17Cl2F2N3O2/c21-15-9-25-10-16(22)13(15)7-17-12-5-6-18(29-20(23)24)19(14(12)8-26-27-17)28-11-3-1-2-4-11/h5-6,8-11,20H,1-4,7H2
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n/an/a 2.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092433
PNG
(CHEMBL3586123)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N5O3/c1-13-11-19-20(12-14(13)2)25-21(24-19)15-3-5-16(6-4-15)22-26-27-23(31-22)17-7-9-18(10-8-17)28(29)30/h3-12H,1-2H3,(H,24,25)
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n/an/a 3.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092352
PNG
(CHEMBL3586126)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClN4O/c1-13-10-19-20(11-14(13)2)26-21(25-19)15-6-8-16(9-7-15)22-27-28-23(29-22)17-4-3-5-18(24)12-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092354
PNG
(CHEMBL3586124)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-6-12-9-24-25-18(7-15-16(21)10-23-11-17(15)22)14(12)8-20(19)27-13-4-2-3-5-13/h6,8-11,13H,2-5,7H2,1H3
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PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092353
PNG
(CHEMBL3586125)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C24H19Cl2N3O2/c1-30-23-7-6-17-19(24(23)31-16-8-14-4-2-3-5-15(14)9-16)11-28-29-22(17)10-18-20(25)12-27-13-21(18)26/h2-7,11-13,16H,8-10H2,1H3
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n/an/a 4.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092466
PNG
(CHEMBL3586112)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C25H22N4O3/c1-14-11-19-20(12-15(14)2)27-23(26-19)16-5-7-17(8-6-16)24-28-29-25(32-24)18-9-10-21(30-3)22(13-18)31-4/h5-13H,1-4H3,(H,26,27)
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n/an/a 4.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50008907
PNG
(D-SACCHARIC ACID 1,4-LACTONE | D-Saccharic Acid 1,...)
Show SMILES O[C@@H]([C@H]1OC(=O)[C@H](O)[C@H]1O)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)/t1-,2-,3+,4+/m1/s1
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n/an/a 4.84E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%