BDBM50169404 CHEMBL412198::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-1-{(S)-(S)-1-[2-(3-benzoylsulfamoyl-5-chloro-benzenesulfonylamino)-2-oxo-ethylaminooxalyl]-propylcarbamoyl}-2-cyclohexyl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-3-methyl-butyl}-amide

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(=O)(=O)NC(=O)c1ccccc1

InChI Key: InChIKey=NRUTUFLNCYLDNR-KUCMJJRQSA-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 = 50169404   

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 serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50169404 (CHEMBL412198 | Pyrazine-2-carboxylic acid {(S)-1-[...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C46H60ClN9O12S2/c1-6-28(5)39(54-43(61)35(20-27(3)4)52-44(62)37-25-48-18-19-49-37)45(63)53-36(21-29-14-10-8-11-15-29)42(60)51-34(7-2)40(58)46(64)50-26-38(57)55-69(65,66)32-22-31(47)23-33(24-32)70(67,68)56-41(59)30-16-12-9-13-17-30/h9,12-13,16-19,22-25,27-29,34-36,39H,6-8,10-11,14-15,20-21,26H2,1-5H3,(H,50,64)(H,51,60)(H,52,62)(H,53,63)(H,54,61)(H,55,57)(H,56,59)/t28-,34-,35-,36-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease				Bioorg Med Chem Lett 15: 3487-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.003 BindingDB Entry DOI: 10.7270/Q2V12495
					More data for this Ligand-Target Pair