BDBM289756 US10093671, Example 25

SMILES: COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCO

InChI Key: InChIKey=LNSKTMWRZNMWPE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289756   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Large envelope protein (Hepatitis B virus)	BDBM289756 (US10093671, Example 25) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCO Show InChI InChI=1S/C25H27NO6S/c1-31-22-13-17-16(12-23(22)32-9-5-3-2-4-8-27)11-20(24-7-6-10-33-24)26-15-18(25(29)30)21(28)14-19(17)26/h6-7,10,12-15,20,27H,2-5,8-9,11H2,1H3,(H,29,30)	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 US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair