BDBM50135429 CHEMBL335769::Pyrazine-2-carboxylic acid ((R)-1-{(R)-1-[(2S,4R)-2-((S)-1-formyl-propylcarbamoyl)-4-(naphthalen-2-ylmethoxy)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccc2ccccc2c1)C=O

InChI Key: InChIKey=XVTHVTNFGGJYAA-BHPKKYGCSA-N

Data: 1 KI

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 = 50135429   

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)	BDBM50135429 (CHEMBL335769 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccc2ccccc2c1)C=O Show InChI InChI=1S/C35H44N6O6/c1-6-26(19-42)38-33(44)29-16-27(47-20-23-11-12-24-9-7-8-10-25(24)15-23)18-41(29)35(46)31(22(4)5)40-34(45)30(21(2)3)39-32(43)28-17-36-13-14-37-28/h7-15,17,19,21-22,26-27,29-31H,6,16,18,20H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t26-,27+,29-,30+,31+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair