BDBM307513 US10150740, Example 9

SMILES: COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCS(C)(=O)=O

InChI Key: InChIKey=RECMZXKLBVQDRN-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 = 307513   

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))	BDBM307513 (US10150740, Example 9) Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCS(C)(=O)=O Show InChI InChI=1S/C22H28N2O7S/c1-14(2)11-23-12-15-8-21(31-6-5-7-32(4,28)29)20(30-3)9-16(15)18-10-19(25)17(22(26)27)13-24(18)23/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	624	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