Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284065'   

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))	BDBM50284065 (CHEMBL4160286) Show SMILES Cc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(C)cc4)c4ccc(C)cc4)c3c2)cc1 Show InChI InChI=1S/C42H36N6O2/c1-26-4-10-29(11-5-26)22-45-47-41(49)32-16-18-38-34(20-32)36(24-43-38)40(31-14-8-28(3)9-15-31)37-25-44-39-19-17-33(21-35(37)39)42(50)48-46-23-30-12-6-27(2)7-13-30/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	1.25E+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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