BDBM50169410 CHEMBL187781::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-2-cyclohexyl-1-{(S)-(S)-1-[2-(3,5-dichloro-benzenesulfonylamino)-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)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=WQJCWOJNLIJQKF-HJEQBHELSA-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 = 50169410   

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)	BDBM50169410 (CHEMBL187781 | 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)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C39H54Cl2N8O9S/c1-6-23(5)33(48-36(53)29(15-22(3)4)46-37(54)31-20-42-13-14-43-31)38(55)47-30(16-24-11-9-8-10-12-24)35(52)45-28(7-2)34(51)39(56)44-21-32(50)49-59(57,58)27-18-25(40)17-26(41)19-27/h13-14,17-20,22-24,28-30,33H,6-12,15-16,21H2,1-5H3,(H,44,56)(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,50)/t23-,28-,29-,30-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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
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