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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for monomerid = 163636   
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


(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

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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US Patent
n/an/an/an/a 17.7n/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PNPG Assay: Two ß-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


(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
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 18n/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111921
BindingDB Entry DOI: 10.7270/Q29W0K1V
More data for this
Ligand-Target Pair
Beta-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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 29n/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
PheG Assay: Two ß-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