Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM289746'   

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)	BDBM289746 (US10093671, Example 15) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC1CC1 Show InChI InChI=1S/C23H21NO5S/c1-28-20-9-15-14(8-21(20)29-12-13-4-5-13)7-18(22-3-2-6-30-22)24-11-16(23(26)27)19(25)10-17(15)24/h2-3,6,8-11,13,18H,4-5,7,12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289746 (US10093671, Example 15) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC1CC1 Show InChI InChI=1S/C23H21NO5S/c1-28-20-9-15-14(8-21(20)29-12-13-4-5-13)7-18(22-3-2-6-30-22)24-11-16(23(26)27)19(25)10-17(15)24/h2-3,6,8-11,13,18H,4-5,7,12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<32	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
					More data for this Ligand-Target Pair