BDBM246832 Cis-11-((6-((tert-butoxycarbonyl)amino)hexyl)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, 23

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

InChI Key: InChIKey=PJCHQERWEZJSDF-WINIVTDRSA-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 = 246832   

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)	BDBM246832 (Cis-11-((6-((tert-butoxycarbonyl)amino)hexyl)oxy)-...) Show SMILES COc1cc-2c(cc1OCCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C31H42N2O7/c1-30(2,3)40-29(37)32-13-9-7-8-10-14-39-26-15-20-19-11-12-31(4,5)27(19)33-18-22(28(35)36)24(34)17-23(33)21(20)16-25(26)38-6/h15-19,27H,7-14H2,1-6H3,(H,32,37)(H,35,36)/t19-,27+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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