BDBM50169421 CHEMBL424999::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-1-{(S)-(S)-1-[2-(3-chloro-5-sulfamoyl-benzenesulfonylamino)-2-oxo-ethylaminooxalyl]-3,3-difluoro-propylcarbamoyl}-2-cyclohexyl-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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(N)(=O)=O

InChI Key: InChIKey=UOFLMXPYMUBMRB-JFPCQKDTSA-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 = 50169421   

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)	BDBM50169421 (CHEMBL424999 | 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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(N)(=O)=O Show InChI InChI=1S/C39H54ClF2N9O11S2/c1-5-22(4)33(50-36(55)28(13-21(2)3)48-37(56)30-19-44-11-12-45-30)38(57)49-29(14-23-9-7-6-8-10-23)35(54)47-27(18-31(41)42)34(53)39(58)46-20-32(52)51-64(61,62)26-16-24(40)15-25(17-26)63(43,59)60/h11-12,15-17,19,21-23,27-29,31,33H,5-10,13-14,18,20H2,1-4H3,(H,46,58)(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,51,52)(H2,43,59,60)/t22-,27-,28-,29-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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