BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase (EcGUS)' AND taxid = 83333   
Target
(Institution)
LigandTarget
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 (EcGUS)


(Escherichia coli (Enterobacteria))
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
160n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
210n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163645
PNG
(3[(6,8Dimethyl2oxo1Hquinolin3yl)methyl]3(2hydroxye...)
Show SMILES Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(cc3)N3CCOCC3)cc2c1
Show InChI InChI=1S/C25H30N4O3S/c1-17-13-18(2)23-19(14-17)15-20(24(31)27-23)16-29(7-10-30)25(33)26-21-3-5-22(6-4-21)28-8-11-32-12-9-28/h3-6,13-15,30H,7-12,16H2,1-2H3,(H,26,33)(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
610n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163641
PNG
(1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazo...)
Show SMILES Fc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCNCC3)n2n1
Show InChI InChI=1S/C20H22FN5/c21-15-5-3-4-14(12-15)18-13-19-23-17-7-2-1-6-16(17)20(26(19)24-18)25-10-8-22-9-11-25/h3-5,12-13,22H,1-2,6-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
670n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163638
PNG
(1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2d...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
680n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163643
PNG
(2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5di...)
Show SMILES COC1CCC(OC)C(C1)NC(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1/C22H33N3O5/c1-27-17-4-6-19(28-2)18(12-17)23-22(26)14-25-9-7-24(8-10-25)13-16-3-5-20-21(11-16)30-15-29-20/h3,5,11,17-19H,4,6-10,12-15H2,1-2H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
960n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163639
PNG
(Methyl 2({[(6ethyl2oxo1,2dihydroquinolin3yl)methyl...)
Show SMILES CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1
Show InChI InChI=1S/C23H25N3O4S/c1-3-15-8-9-19-16(12-15)13-17(21(28)24-19)14-26(10-11-27)23(31)25-20-7-5-4-6-18(20)22(29)30-2/h4-9,12-13,27H,3,10-11,14H2,1-2H3,(H,24,28)(H,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163644
PNG
(3[(6,8Dimethyl2oxo1Hquinolin3yl)methyl]3(2hydroxye...)
Show SMILES Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(O)cc3)cc2c1
Show InChI InChI=1S/C21H23N3O3S/c1-13-9-14(2)19-15(10-13)11-16(20(27)23-19)12-24(7-8-25)21(28)22-17-3-5-18(26)6-4-17/h3-6,9-11,25-26H,7-8,12H2,1-2H3,(H,22,28)(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163642
PNG
(Methyl 2amino5[(3chloro4methylphenyl)carbamoyl]4me...)
Show SMILES COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C15H15ClN2O3S/c1-7-4-5-9(6-10(7)16)18-14(19)12-8(2)11(13(17)22-12)15(20)21-3/h4-6H,17H2,1-3H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Citation and Details
More data for this
Ligand-Target Pair