Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284061'   

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))	BDBM50284061 (CHEMBL4175788) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)cc1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)cc1 Show InChI InChI=1S/C40H30F2N6O2/c1-24-2-8-27(9-3-24)38(34-22-43-36-16-10-28(18-32(34)36)39(49)47-45-20-25-4-12-30(41)13-5-25)35-23-44-37-17-11-29(19-33(35)37)40(50)48-46-21-26-6-14-31(42)15-7-26/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	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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