BDBM50141211 CHEMBL287455::Pyrazine-2-carboxylic acid ((R)-1-{(R)-1-[(S)-4-benzyloxy-2-((R)-(S)-1-ethyl-4-methyl-2,3-dioxo-pentylcarbamoyl)-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)OCc1ccccc1)C(=O)C(=O)C(C)C

InChI Key: InChIKey=RPHRHAPKOADZQF-AWUCKFEESA-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 = 50141211   

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)	BDBM50141211 (CHEMBL287455 | 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)OCc1ccccc1)C(=O)C(=O)C(C)C Show InChI InChI=1S/C35H48N6O7/c1-8-25(31(43)30(42)22(6)7)38-33(45)27-16-24(48-19-23-12-10-9-11-13-23)18-41(27)35(47)29(21(4)5)40-34(46)28(20(2)3)39-32(44)26-17-36-14-15-37-26/h9-15,17,20-22,24-25,27-29H,8,16,18-19H2,1-7H3,(H,38,45)(H,39,44)(H,40,46)/t24-,25+,27+,28-,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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 Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA)				Bioorg Med Chem Lett 14: 1441-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.022 BindingDB Entry DOI: 10.7270/Q24Q7TD2
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