BDBM163637 3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2hydroxyethyl)1(3 methoxyphenyl)thiourea (Inh 2)::US9334288, 4
SMILES: COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1
InChI Key: InChIKey=ANZIHXJDZSQUFB-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 210 | 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 µL assay buffer, 5 µL inhibitor solution, 5 µL 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-glucuronidase (CpGUS) (Clostridium perfringens (Firmicutes)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.10E+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 µL assay buffer, 5 µL inhibitor solution, 5 µL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-glucuronidase (SaGUS) (Streptococcus agalactiae (Firmicutes)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.00E+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 µL assay buffer, 5 µL inhibitor solution, 5 µL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 378 | 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 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 (β-glucuronidase) (Homo sapiens (Human)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 28.3 | n/a | n/a | n/a | n/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 (β-glucuronidase) (Homo sapiens (Human)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 33.2 | n/a | n/a | n/a | n/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 | |||||||||||||
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human)) | BDBM163637 (3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 369 | 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 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 |