Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM246812'   

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)	BDBM246812 (Cis-11-(benzyloxy)-10-methoxy-3,3-dimethyl-7-oxo-1...) Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C27H27NO5/c1-27(2)10-9-17-18-11-24(33-15-16-7-5-4-6-8-16)23(32-3)12-19(18)21-13-22(29)20(26(30)31)14-28(21)25(17)27/h4-8,11-14,17,25H,9-10,15H2,1-3H3,(H,30,31)/t17-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 US10053461 (2018) BindingDB Entry DOI: 10.7270/Q2Q81G3D
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM246812 (Cis-11-(benzyloxy)-10-methoxy-3,3-dimethyl-7-oxo-1...) Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C27H27NO5/c1-27(2)10-9-17-18-11-24(33-15-16-7-5-4-6-8-16)23(32-3)12-19(18)21-13-22(29)20(26(30)31)14-28(21)25(17)27/h4-8,11-14,17,25H,9-10,15H2,1-3H3,(H,30,31)/t17-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 US10053461 (2018) BindingDB Entry DOI: 10.7270/Q2Q81G3D
					More data for this Ligand-Target Pair