Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284068'   

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))	BDBM50284068 (CHEMBL4167354) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)c(O)c4)c4ccc(C)cc4)c3c2)cc1O Show InChI InChI=1S/C42H36N6O6/c1-24-4-8-27(9-5-24)40(32-22-43-34-12-10-28(18-30(32)34)41(51)47-45-20-25-6-14-38(53-2)36(49)16-25)33-23-44-35-13-11-29(19-31(33)35)42(52)48-46-21-26-7-15-39(54-3)37(50)17-26/h4-23,40,43-44,49-50H,1-3H3,(H,47,51)(H,48,52)/b45-20+,46-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				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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