BDBM235861 US9364482, 36

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=YWYUGJWEIJQUGR-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 = 235861   

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))	BDBM235861 (US9364482, 36) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H28F2N4O5S/c1-36-32(40)29-25-16-24(27(38(2)45(3,42)43)17-28(25)44-31(29)21-6-11-23(35)12-7-21)26-13-8-20-14-15-39(33(41)30(20)37-26)18-19-4-9-22(34)10-5-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,36,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.527	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))	BDBM235861 (US9364482, 36) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H28F2N4O5S/c1-36-32(40)29-25-16-24(27(38(2)45(3,42)43)17-28(25)44-31(29)21-6-11-23(35)12-7-21)26-13-8-20-14-15-39(33(41)30(20)37-26)18-19-4-9-22(34)10-5-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,36,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08	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