BDBM50169406 CHEMBL407699::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-1-{(S)-(S)-1-[2-(3-benzoylsulfamoyl-5-chloro-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(=O)(=O)NC(=O)c1ccccc1

InChI Key: InChIKey=YIJDHMKSFGXGEG-NJNWEJITSA-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 = 50169406   

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)	BDBM50169406 (CHEMBL407699 | 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(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C46H58ClF2N9O12S2/c1-5-27(4)39(56-43(63)34(18-26(2)3)54-44(64)36-24-50-16-17-51-36)45(65)55-35(19-28-12-8-6-9-13-28)42(62)53-33(23-37(48)49)40(60)46(66)52-25-38(59)57-71(67,68)31-20-30(47)21-32(22-31)72(69,70)58-41(61)29-14-10-7-11-15-29/h7,10-11,14-17,20-22,24,26-28,33-35,37,39H,5-6,8-9,12-13,18-19,23,25H2,1-4H3,(H,52,66)(H,53,62)(H,54,64)(H,55,65)(H,56,63)(H,57,59)(H,58,61)/t27-,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