Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM246818'   

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)	BDBM246818 (Cis-11-isobutoxy-10-methoxy-3,3-dimethyl-7-oxo-1,2...) Show SMILES COc1cc-2c(cc1OCC(C)C)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C24H29NO5/c1-13(2)12-30-21-8-15-14-6-7-24(3,4)22(14)25-11-17(23(27)28)19(26)10-18(25)16(15)9-20(21)29-5/h8-11,13-14,22H,6-7,12H2,1-5H3,(H,27,28)/t14-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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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