BDBM289738 US10093671, Example 7

SMILES: COCCCOc1cc2CC(c3cc(C)cs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=GKYCLLQUWGJWLA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 289738   

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)	BDBM289738 (US10093671, Example 7) Show SMILES COCCCOc1cc2CC(c3cc(C)cs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C24H25NO6S/c1-14-7-23(32-13-14)19-8-15-9-22(31-6-4-5-29-2)21(30-3)10-16(15)18-11-20(26)17(24(27)28)12-25(18)19/h7,9-13,19H,4-6,8H2,1-3H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<32	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
Large envelope protein (Hepatitis B virus)	BDBM289738 (US10093671, Example 7) Show SMILES COCCCOc1cc2CC(c3cc(C)cs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C24H25NO6S/c1-14-7-23(32-13-14)19-8-15-9-22(31-6-4-5-29-2)21(30-3)10-16(15)18-11-20(26)17(24(27)28)12-25(18)19/h7,9-13,19H,4-6,8H2,1-3H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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