BDBM50169414 CHEMBL187619::Pyrazine-2-carboxylic acid [(S)-1-(1-{(S)-2-cyclohexyl-1-[(S)-(S)-1-(2-oxo-2-phenylmethanesulfonylamino-ethylaminooxalyl)-propylcarbamoyl]-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)Cc1ccccc1

InChI Key: InChIKey=QIECPRJVQVQENL-HZUJYMBASA-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 = 50169414   

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)	BDBM50169414 (CHEMBL187619 | 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)Cc1ccccc1 Show InChI InChI=1S/C40H58N8O9S/c1-6-26(5)34(47-37(52)30(20-25(3)4)45-38(53)32-22-41-18-19-42-32)39(54)46-31(21-27-14-10-8-11-15-27)36(51)44-29(7-2)35(50)40(55)43-23-33(49)48-58(56,57)24-28-16-12-9-13-17-28/h9,12-13,16-19,22,25-27,29-31,34H,6-8,10-11,14-15,20-21,23-24H2,1-5H3,(H,43,55)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t26-,29-,30-,31-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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