BDBM246850 Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(pyrrolidin-1-yl)-1,2,3,3a,7,12b-hexahydrocyclopenta[c]pyrido[2,1-a]isoquinoline-6-carboxylic acid::US10053461, 41

SMILES: COc1cc-2c(cc1N1CCCC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21

InChI Key: InChIKey=JSBMGPMFUIOBOC-PEBXRYMYSA-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 = 246850   

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)	BDBM246850 (Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(pyrrolidin-1...) Show SMILES COc1cc-2c(cc1N1CCCC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r| Show InChI InChI=1S/C24H28N2O4/c1-24(2)7-6-14-15-10-19(25-8-4-5-9-25)21(30-3)11-16(15)18-12-20(27)17(23(28)29)13-26(18)22(14)24/h10-14,22H,4-9H2,1-3H3,(H,28,29)/t14-,22+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.60	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