BDBM235863 US9364482, 38

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1

InChI Key: InChIKey=YUACNGPAVKFBDY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 235863   

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
NS3-NS4A Protease (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM235863 (US9364482, 38) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H27F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-18H,19H2,1-3H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...				US Patent US9364482 (2016) BindingDB Entry DOI: 10.7270/Q2TT4PVB
					More data for this Ligand-Target Pair
NS3/4A protease (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM235863 (US9364482, 38) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H27F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-18H,19H2,1-3H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...				US Patent US9364482 (2016) BindingDB Entry DOI: 10.7270/Q2TT4PVB
					More data for this Ligand-Target Pair