Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50541039'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-glucuronidase (Homo sapiens (Human))	BDBM50541039 (CHEMBL4648187) Show SMILES COCCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccccc2c1=O Show InChI InChI=1S/C22H25N3O5S/c1-28-12-6-11-25-21(27)16-7-4-5-8-17(16)24-22(25)31-14-20(26)23-18-13-15(29-2)9-10-19(18)30-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	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) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111921 BindingDB Entry DOI: 10.7270/Q29W0K1V
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