Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM289741'   

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
Large envelope protein (Hepatitis B virus)	BDBM289741 (US10093671, Example 10) Show SMILES COCCCOc1cc2CC(c3ccccc3C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C26H27NO6/c1-16-7-4-5-8-18(16)21-11-17-12-25(33-10-6-9-31-2)24(32-3)13-19(17)22-14-23(28)20(26(29)30)15-27(21)22/h4-5,7-8,12-15,21H,6,9-11H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
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