Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM246837'   

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)	BDBM246837 (US10053461, 28 | cis-13-chloro-12-(3-methoxypropox...) Show SMILES COCCCOc1cc2[C@H]3CCCCC[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl |r| Show InChI InChI=1S/C23H26ClNO5/c1-29-8-5-9-30-22-11-15-14-6-3-2-4-7-19(14)25-13-17(23(27)28)21(26)12-20(25)16(15)10-18(22)24/h10-14,19H,2-9H2,1H3,(H,27,28)/t14-,19+/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
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