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Compile Data Set for Download or QSAR

Found 269 hits Enz. Inhib. hit(s) with Target = 'beta-Glucuronidase (β-glucuronidase)'   
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))
BDBM229595
PNG
(US9334288, 9)
Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2
PDB

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n/an/a 0.984n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316366
PNG
(US9617239, BRITE-354972)
Show SMILES Cc1ccc(Oc2ccc(s2)S(=O)(=O)NCc2cccc3ccccc23)cc1
PDB

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n/an/a<1n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM229595
PNG
(US9334288, 9)
Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2
PDB

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n/an/a 1.17n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316467
PNG
(US9617239, BRITE-492808)
Show SMILES Cc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
PDB

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n/an/a 30n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316459
PNG
(US9617239, BRITE-492802)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccc(Cl)cc1
PDB

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n/an/a 30n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316461
PNG
(US9617239, BRITE-492805)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1Cl
PDB

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n/an/a 40n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316468
PNG
(US9617239, BRITE-492809)
Show SMILES Fc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
PDB

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n/an/a 40n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316456
PNG
(US9617239, BRITE-492799)
Show SMILES COc1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
PDB

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n/an/a 70n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316457
PNG
(US9617239, BRITE-492800)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)Nc1cccc(Cl)c1
PDB

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n/an/a 70n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316367
PNG
(US9617239, BRITE-355123)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cccc(Cl)c1
PDB

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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316454
PNG
(US9617239, BRITE-492797)
Show SMILES O=S(=O)(NCc1cccc2ccccc12)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316368
PNG
(US9617239, BRITE-355252)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cccc2ccccc12
PDB

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n/an/a 90n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM193719
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(2-fluoro...)
Show SMILES Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C31H24FN5OS/c32-25-9-3-6-12-28(25)35-31(39)37-36-30(38)20-15-13-19(14-16-20)29(23-17-33-26-10-4-1-7-21(23)26)24-18-34-27-11-5-2-8-22(24)27/h1-18,29,33-34H,(H,36,38)(H2,35,37,39)
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n/an/a 100n/an/an/an/an/an/a



Universiti Teknologi MARA



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 68: 56-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.008
BindingDB Entry DOI: 10.7270/Q2RV0MGS
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316460
PNG
(US9617239, BRITE-492803)
Show SMILES COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1
PDB

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n/an/a 100n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM193733
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(3,4-dich...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C31H23Cl2N5OS/c32-25-14-13-20(15-26(25)33)36-31(40)38-37-30(39)19-11-9-18(10-12-19)29(23-16-34-27-7-3-1-5-21(23)27)24-17-35-28-8-4-2-6-22(24)28/h1-17,29,34-35H,(H,37,39)(H2,36,38,40)
PDB

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n/an/a 120n/an/an/an/an/an/a



Universiti Teknologi MARA



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 68: 56-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.008
BindingDB Entry DOI: 10.7270/Q2RV0MGS
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316369
PNG
(US9617239, BRITE-354975)
Show SMILES O=S(=O)(NCCN1CCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 120n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316453
PNG
(US9617239, BRITE-492796)
Show SMILES CN(Cc1cccc2ccccc12)S(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 120n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316466
PNG
(US9617239, BRITE-492807)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1
PDB

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n/an/a 130n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316370
PNG
(US9617239, BRITE-354989)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 150n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316371
PNG
(US9617239, BRITE-354909)
Show SMILES COc1ccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1
PDB

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n/an/a 170n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316372
PNG
(US9617239, BRITE-354725)
Show SMILES COc1ccc(CCNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
PDB

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n/an/a 190n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM193734
PNG
(2-(4-(di(1H-indol-3-yl)methyl)benzoyl)-N-(4(triflu...)
Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C32H24F3N5OS/c33-32(34,35)21-13-15-22(16-14-21)38-31(42)40-39-30(41)20-11-9-19(10-12-20)29(25-17-36-27-7-3-1-5-23(25)27)26-18-37-28-8-4-2-6-24(26)28/h1-18,29,36-37H,(H,39,41)(H2,38,40,42)
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n/an/a 200n/an/an/an/an/an/a



Universiti Teknologi MARA



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 68: 56-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.008
BindingDB Entry DOI: 10.7270/Q2RV0MGS
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316373
PNG
(US9617239, BRITE-354969)
Show SMILES CCN(CCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1)c1cccc(C)c1
PDB

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n/an/a 200n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316374
PNG
(US9617239, BRITE-355417)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1Br
PDB

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n/an/a 210n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316375
PNG
(US9617239, BRITE-355006)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1
PDB

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n/an/a 210n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163640
PNG
(5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21
Show InChI InChI=1/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3
PDB

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n/an/a 213n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316376
PNG
(US9617239, BRITE-355017)
Show SMILES O=S(=O)(NCc1ccc2OCOc2c1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 220n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316377
PNG
(US9617239, BRITE-354979)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1
PDB

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n/an/a 230n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163640
PNG
(5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21
Show InChI InChI=1/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3
PDB

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n/an/a 231n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316378
PNG
(US9617239, BRITE-355004)
Show SMILES Clc1ccc(CCNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1
PDB

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US Patent
n/an/a 240n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316379
PNG
(US9617239, BRITE-354667)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
PDB

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US Patent
n/an/a 270n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316380
PNG
(US9617239, BRITE-354966)
Show SMILES O=S(=O)(NCC1CCCCC1)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 270n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163636
PNG
(3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...)
Show SMILES CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
Show InChI InChI=1S/C23H27N3O3S/c1-4-29-20-7-5-19(6-8-20)24-23(30)26(9-10-27)14-18-13-17-12-15(2)11-16(3)21(17)25-22(18)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,30)(H,25,28)
PDB

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n/an/a 277n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316381
PNG
(US9617239, BRITE-355262)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccccc1
PDB

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n/an/a 280n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163636
PNG
(3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...)
Show SMILES CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
Show InChI InChI=1S/C23H27N3O3S/c1-4-29-20-7-5-19(6-8-20)24-23(30)26(9-10-27)14-18-13-17-12-15(2)11-16(3)21(17)25-22(18)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,30)(H,25,28)
PDB

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US Patent
n/an/a 283n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316383
PNG
(US9617239, BRITE-354873)
Show SMILES FC(F)(F)c1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
PDB

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US Patent
n/an/a 290n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316382
PNG
(US9617239, BRITE-354965)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
PDB

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n/an/a 290n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316462
PNG
(US9617239, BRITE-492806)
Show SMILES Clc1cc(sc1Oc1ccc(cc1)N1CCNCC1)S(=O)(=O)NCc1cccc2ccccc12
PDB

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n/an/a 300n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316384
PNG
(US9617239, BRITE-354615)
Show SMILES COc1cc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc(OC)c1
PDB

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US Patent
n/an/a 310n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316385
PNG
(US9617239, BRITE-355016)
Show SMILES O=C1CCCN1CCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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US Patent
n/an/a 320n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316386
PNG
(US9617239, BRITE-354517)
Show SMILES Clc1cc(sc1Oc1cccc(c1)N1CCNCC1)S(=O)(=O)NCc1ccc2OCOc2c1
PDB

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US Patent
n/an/a 320n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316387
PNG
(US9617239, BRITE-354958)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 330n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316455
PNG
(US9617239, BRITE-492798)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 330n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316388
PNG
(US9617239, BRITE-355360)
Show SMILES COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)cc1OC
PDB

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US Patent
n/an/a 340n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316389
PNG
(US9617239, BRITE-355227)
Show SMILES COc1cccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
PDB

UniProtKB/SwissProt

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n/an/a 350n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163637
PNG
(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Show SMILES COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1
Show InChI InChI=1S/C22H25N3O3S/c1-14-9-16-11-17(21(27)24-20(16)10-15(14)2)13-25(7-8-26)22(29)23-18-5-4-6-19(12-18)28-3/h4-6,9-12,26H,7-8,13H2,1-3H3,(H,23,29)(H,24,27)
PDB

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n/an/a 369n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM163637
PNG
(3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...)
Show SMILES COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1
Show InChI InChI=1S/C22H25N3O3S/c1-14-9-16-11-17(21(27)24-20(16)10-15(14)2)13-25(7-8-26)22(29)23-18-5-4-6-19(12-18)28-3/h4-6,9-12,26H,7-8,13H2,1-3H3,(H,23,29)(H,24,27)
PDB

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n/an/a 378n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two -glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...


US Patent US9334288 (2016)


BindingDB Entry DOI: 10.7270/Q270809V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316394
PNG
(US9617239, BRITE-354948)
Show SMILES CSCCCNS(=O)(=O)c1ccc(Oc2cccc(c2)N2CCNCC2)s1
PDB

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n/an/a 390n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316395
PNG
(US9617239, BRITE-355336)
Show SMILES Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1
PDB

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n/an/a 410n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM316396
PNG
(US9617239, BRITE-355423)
Show SMILES CC(CCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Oc2cccc(c2)N2CCNCC2)s1
PDB

UniProtKB/SwissProt

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n/an/a 430n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent




US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair
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