BDBM289744 US10093671, Example 13

SMILES: COc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=QYQGXCVYNPJBRN-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 = 289744   

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)	BDBM289744 (US10093671, Example 13) Show SMILES COc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C20H17NO5S/c1-25-17-7-11-6-15(19-4-3-5-27-19)21-10-13(20(23)24)16(22)9-14(21)12(11)8-18(17)26-2/h3-5,7-10,15H,6H2,1-2H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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