BDBM50169419 CHEMBL189038::Pyrazine-2-carboxylic acid ((S)-1-{1-[(S)-1-((S)-(S)-1-{2-[5-(4-chloro-benzoylamino)-[1,3,4]thiadiazole-2-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)c1nnc(NC(=O)c2ccc(Cl)cc2)s1

InChI Key: InChIKey=XVLVWQZXXJHBRQ-GPKGDWGFSA-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 = 50169419   

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)	BDBM50169419 (CHEMBL189038 | 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)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 Show InChI InChI=1S/C42H54ClF2N11O10S2/c1-5-23(4)33(52-37(61)28(17-22(2)3)50-38(62)30-20-46-15-16-47-30)39(63)51-29(18-24-9-7-6-8-10-24)36(60)49-27(19-31(44)45)34(58)40(64)48-21-32(57)56-68(65,66)42-55-54-41(67-42)53-35(59)25-11-13-26(43)14-12-25/h11-16,20,22-24,27-29,31,33H,5-10,17-19,21H2,1-4H3,(H,48,64)(H,49,60)(H,50,62)(H,51,63)(H,52,61)(H,56,57)(H,53,54,59)/t23-,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	20	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