BDBM110354 US8613914, 122::US9206232, 122

SMILES: CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C21CCC1

InChI Key: InChIKey=VXDRIGYTIFAUHJ-UJSZJFJKSA-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 = 110354   

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
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110354 (US8613914, 122 | US9206232, 122) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C42H71N7O7S/c1-13-28-23-42(28,37(54)46-57(55,56)47(14-2)15-3)45-34(51)30-24-41(39(11,12)40(41)20-18-21-40)25-49(30)36(53)32(38(8,9)10)44-35(52)31(26(4)5)43-33(50)29-19-16-17-22-48(29)27(6)7/h13,26-32H,1,14-25H2,2-12H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
NS3/4A protein (Hepatitis C virus)	BDBM110354 (US8613914, 122 | US9206232, 122) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C42H71N7O7S/c1-13-28-23-42(28,37(54)46-57(55,56)47(14-2)15-3)45-34(51)30-24-41(39(11,12)40(41)20-18-21-40)25-49(30)36(53)32(38(8,9)10)44-35(52)31(26(4)5)43-33(50)29-19-16-17-22-48(29)27(6)7/h13,26-32H,1,14-25H2,2-12H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A prot...				US Patent US8613914 (2013) BindingDB Entry DOI: 10.7270/Q28C9TWW
					More data for this Ligand-Target Pair