BDBM289762 US10093671, Example 31

SMILES: COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCSC

InChI Key: InChIKey=NLHVLRBRXFNULW-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 = 289762   

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)	BDBM289762 (US10093671, Example 31) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCSC Show InChI InChI=1S/C23H23NO5S2/c1-28-20-11-15-14(10-21(20)29-6-4-7-30-2)9-18(22-5-3-8-31-22)24-13-16(23(26)27)19(25)12-17(15)24/h3,5,8,10-13,18H,4,6-7,9H2,1-2H3,(H,26,27)	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 US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair