Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM246821'   

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)	BDBM246821 (Cis-11-(3-cyanopropoxy)-10-methoxy-3,3-dimethyl-7-...) Show SMILES COc1cc-2c(cc1OCCCC#N)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C24H26N2O5/c1-24(2)7-6-14-15-10-21(31-9-5-4-8-25)20(30-3)11-16(15)18-12-19(27)17(23(28)29)13-26(18)22(14)24/h10-14,22H,4-7,9H2,1-3H3,(H,28,29)/t14-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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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