BDBM246834 Cis-11-((6-acetamidohexyl)oxy)-10-methoxy-3,3-dimethyl-7-oxo-1,2,3,3a,7,12b-hexahydrocyclopenta[c]pyrido[2,1-a]isoquinoline-6-carboxylic acid::US10053461, 25

SMILES: COc1cc-2c(cc1OCCCCCCNC(C)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21

InChI Key: InChIKey=XSCPFKSSJBJYRK-DWXRJYCRSA-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 = 246834   

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)	BDBM246834 (Cis-11-((6-acetamidohexyl)oxy)-10-methoxy-3,3-dime...) Show SMILES COc1cc-2c(cc1OCCCCCCNC(C)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C28H36N2O6/c1-17(31)29-11-7-5-6-8-12-36-25-13-19-18-9-10-28(2,3)26(18)30-16-21(27(33)34)23(32)15-22(30)20(19)14-24(25)35-4/h13-16,18,26H,5-12H2,1-4H3,(H,29,31)(H,33,34)/t18-,26+/m1/s1	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 US10053461 (2018) BindingDB Entry DOI: 10.7270/Q2Q81G3D
					More data for this Ligand-Target Pair