Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284066'   

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))	BDBM50284066 (CHEMBL4170895) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(C)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(C)c1 Show InChI InChI=1S/C42H36N6O2/c1-26-10-12-31(13-11-26)40(36-24-43-38-16-14-32(20-34(36)38)41(49)47-45-22-29-8-4-6-27(2)18-29)37-25-44-39-17-15-33(21-35(37)39)42(50)48-46-23-30-9-5-7-28(3)19-30/h4-25,40,43-44H,1-3H3,(H,47,49)(H,48,50)/b45-22+,46-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	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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