Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284055'   

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))	BDBM50284055 (CHEMBL4177204) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1c(O)cc(O)cc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1c(O)cc(O)cc1O Show InChI InChI=1S/C40H32N6O8/c1-20-2-4-21(5-3-20)38(28-16-41-32-8-6-22(10-26(28)32)39(53)45-43-18-30-34(49)12-24(47)13-35(30)50)29-17-42-33-9-7-23(11-27(29)33)40(54)46-44-19-31-36(51)14-25(48)15-37(31)52/h2-19,38,41-42,47-52H,1H3,(H,45,53)(H,46,54)/b43-18+,44-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of human beta-glucuronidase				Eur J Med Chem 143: 1757-1767 (2018) Article DOI: 10.1016/j.ejmech.2017.10.071 BindingDB Entry DOI: 10.7270/Q23N25X1
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