Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284028'   

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))	BDBM50284028 (CHEMBL4165520) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)c(O)c4I)c4ccc(C)cc4)c3c2)c(I)c1O Show InChI InChI=1S/C42H34I2N6O6/c1-22-4-6-23(7-5-22)36(30-20-45-32-12-8-24(16-28(30)32)41(53)49-47-18-26-10-14-34(55-2)39(51)37(26)43)31-21-46-33-13-9-25(17-29(31)33)42(54)50-48-19-27-11-15-35(56-3)40(52)38(27)44/h4-21,36,45-46,51-52H,1-3H3,(H,49,53)(H,50,54)/b47-18+,48-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.35E+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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