BDBM50135449 CHEMBL130397::Pyrazine-2-carboxylic acid ((R)-1-{(R)-1-[(2S,4R)-2-((S)-1-formyl-propylcarbamoyl)-4-phenoxy-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)Oc1ccccc1)C=O

InChI Key: InChIKey=NVAZMCXPFVMSAB-DAHCKQEJSA-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 = 50135449   

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
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135449 (CHEMBL130397 | 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)Oc1ccccc1)C=O Show InChI InChI=1S/C30H40N6O6/c1-6-20(17-37)33-28(39)24-14-22(42-21-10-8-7-9-11-21)16-36(24)30(41)26(19(4)5)35-29(40)25(18(2)3)34-27(38)23-15-31-12-13-32-23/h7-13,15,17-20,22,24-26H,6,14,16H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)/t20-,22+,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+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