Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM246835'   

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)	BDBM246835 (Cis-10-methoxy-3,3-dimethyl-11-((6-(methylsulfonam...) Show SMILES COc1cc-2c(cc1OCCCCCCNS(C)(=O)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C27H36N2O7S/c1-27(2)10-9-17-18-13-24(36-12-8-6-5-7-11-28-37(4,33)34)23(35-3)14-19(18)21-15-22(30)20(26(31)32)16-29(21)25(17)27/h13-17,25,28H,5-12H2,1-4H3,(H,31,32)/t17-,25+/m1/s1	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 US10053461 (2018) BindingDB Entry DOI: 10.7270/Q2Q81G3D
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