BDBM307517 US10150740, Example 13

SMILES: COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCC[N+]#[C-]

InChI Key: InChIKey=SGQIRWOYPPQGGY-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 = 307517   

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
Hepatitis C virus polyprotein (Hepatitis C virus (HCV))	BDBM307517 (US10150740, Example 13) Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCC[N+]#[C-] Show InChI InChI=1S/C22H25N3O5/c1-14(2)11-24-12-15-8-21(30-7-5-6-23-3)20(29-4)9-16(15)18-10-19(26)17(22(27)28)13-25(18)24/h8-10,13-14H,5-7,11-12H2,1-2,4H3,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...				US Patent US10150740 (2018) BindingDB Entry DOI: 10.7270/Q2RN39WH
					More data for this Ligand-Target Pair