BDBM50169417 CHEMBL187516::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-2-cyclohexyl-1-{(S)-(S)-1-[2-(naphthalene-2-sulfonylamino)-2-oxo-ethylaminooxalyl]-propylcarbamoyl}-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)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=JJDMVDPGZYYIBS-MIXLVKGHSA-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 = 50169417   

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)	BDBM50169417 (CHEMBL187516 | 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)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C43H58N8O9S/c1-6-27(5)37(50-40(55)33(21-26(3)4)48-41(56)35-24-44-19-20-45-35)42(57)49-34(22-28-13-9-8-10-14-28)39(54)47-32(7-2)38(53)43(58)46-25-36(52)51-61(59,60)31-18-17-29-15-11-12-16-30(29)23-31/h11-12,15-20,23-24,26-28,32-34,37H,6-10,13-14,21-22,25H2,1-5H3,(H,46,58)(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,51,52)/t27-,32-,33-,34-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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