Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50541036'   

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))	BDBM50541036 (CHEMBL4635401) Show SMILES Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NC3CCCCC3)cc2c1 Show InChI InChI=1S/C21H29N3O2S/c1-14-10-15(2)19-16(11-14)12-17(20(26)23-19)13-24(8-9-25)21(27)22-18-6-4-3-5-7-18/h10-12,18,25H,3-9,13H2,1-2H3,(H,22,27)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+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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