BDBM289766 US10093671, Example 35

SMILES: CCCc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=GWZWWHISBMOBEV-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 = 289766   

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)	BDBM289766 (US10093671, Example 35) Show SMILES CCCc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C22H21NO4S/c1-3-5-13-8-14-9-18(21-6-4-7-28-21)23-12-16(22(25)26)19(24)11-17(23)15(14)10-20(13)27-2/h4,6-8,10-12,18H,3,5,9H2,1-2H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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