BDBM50143463 CHEMBL177235::Pyrazine-2-carboxylic acid [(R)-2-methyl-1-((R)-2-methyl-1-{(4S,5S)-3-methyl-2-[1-((S)-(S)-1-phenyl-ethylaminooxalyl)-propylcarbamoyl]-pyrrolidine-1-carbonyl}-propylcarbamoyl)-propyl]-amide

SMILES: CC[C@H](NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=SSTPNIFAXADXPJ-YEWKZZRTSA-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 = 50143463   

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)	BDBM50143463 (CHEMBL177235 | Pyrazine-2-carboxylic acid [(R)-2-m...) Show SMILES CC[C@H](NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C34H47N7O6/c1-8-24(29(42)33(46)37-22(7)23-12-10-9-11-13-23)38-32(45)28-21(6)14-17-41(28)34(47)27(20(4)5)40-31(44)26(19(2)3)39-30(43)25-18-35-15-16-36-25/h9-13,15-16,18-22,24,26-28H,8,14,17H2,1-7H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t21-,22-,24-,26+,27+,28-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 Inhibitory activity against hepatitis C virus NS3.4A protease				Bioorg Med Chem Lett 14: 1939-42 (2004) Article DOI: 10.1016/j.bmcl.2004.01.078 BindingDB Entry DOI: 10.7270/Q2862FVH
					More data for this Ligand-Target Pair