BDBM50169415 CHEMBL188449::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-1-{(S)-(S)-1-[2-(biphenyl-3-sulfonylamino)-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)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=RTDNNHMXBSFDAB-KVJDXRNMSA-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 = 50169415   

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)	BDBM50169415 (CHEMBL188449 | 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)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C45H58F2N8O9S/c1-5-28(4)39(54-42(59)34(21-27(2)3)52-43(60)36-25-48-19-20-49-36)44(61)53-35(22-29-13-8-6-9-14-29)41(58)51-33(24-37(46)47)40(57)45(62)50-26-38(56)55-65(63,64)32-18-12-17-31(23-32)30-15-10-7-11-16-30/h7,10-12,15-20,23,25,27-29,33-35,37,39H,5-6,8-9,13-14,21-22,24,26H2,1-4H3,(H,50,62)(H,51,58)(H,52,60)(H,53,61)(H,54,59)(H,55,56)/t28-,33-,34-,35-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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