BindingDB PrimarySearch

BDBM163636 3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(4ethoxyphenyl)3(2hydroxyethyl)thiourea (Inh 1)::US9334288, 1

SMILES: CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1

InChI Key: InChIKey=PSKUPWXOVUAUJD-UHFFFAOYSA-N

Data: 3 KI 4 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 163636
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 �L assay buffer, 5 �L inhibitor solution, 5 �L of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Beta-glucuronidase (CpGUS) (Clostridium perfringens (Firmicutes))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 �L assay buffer, 5 �L inhibitor solution, 5 �L of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Beta-glucuronidase (SaGUS) (Streptococcus agalactiae (Firmicutes))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 �L assay buffer, 5 �L inhibitor solution, 5 �L of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/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
The University of North Carolina at Chapel Hill US Patent					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin)				Eur J Med Chem 187: (2020)
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/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)
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/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
The University of North Carolina at Chapel Hill US Patent					More data for this Ligand-Target Pair
Beta-glucuronidase (Mus musculus)	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description In-vivo inhibition of beta-glucuronidase in BALB/CJ mouse at 10 ug administered as twice daily				Eur J Med Chem 187: (2020)
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/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
The University of North Carolina at Chapel Hill US Patent					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163636 (3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	17.7	n/a	n/a	n/a	n/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
The University of North Carolina at Chapel Hill US Patent					More data for this Ligand-Target Pair