BDBM289733 US10093671, Example 2

SMILES: COCCCOc1cc2CC(c3ccsc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=PYYIWMPATHANND-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 = 289733   

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)	BDBM289733 (US10093671, Example 2) Show SMILES COCCCOc1cc2CC(c3ccsc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C23H23NO6S/c1-28-5-3-6-30-22-9-15-8-18(14-4-7-31-13-14)24-12-17(23(26)27)20(25)11-19(24)16(15)10-21(22)29-2/h4,7,9-13,18H,3,5-6,8H2,1-2H3,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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