BDBM50110002 (S)-4-[(S)-1-({[(S)-1-((S)-1-Aminooxalyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-phenyl-methyl}-carbamoyl)-2-o-tolyl-ethylcarbamoyl]-4-[(S)-3-carboxy-2-(3-carboxy-propionylamino)-propionylamino]-butyric acid::CHEMBL351341

SMILES: CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)c1ccccc1)C(=O)C(N)=O

InChI Key: InChIKey=JQVIONAKCGZBOA-XJJOYFJPSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110002   

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)	BDBM50110002 ((S)-4-[(S)-1-({[(S)-1-((S)-1-Aminooxalyl-pentylcar...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)c1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C44H59N7O14/c1-5-6-16-28(38(59)39(45)60)47-41(62)30(21-24(2)3)50-44(65)37(26-13-8-7-9-14-26)51-43(64)31(22-27-15-11-10-12-25(27)4)49-40(61)29(17-19-34(53)54)48-42(63)32(23-36(57)58)46-33(52)18-20-35(55)56/h7-15,24,28-32,37H,5-6,16-23H2,1-4H3,(H2,45,60)(H,46,52)(H,47,62)(H,48,63)(H,49,61)(H,50,65)(H,51,64)(H,53,54)(H,55,56)(H,57,58)/t28-,29-,30-,31-,32-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 proteinase				Bioorg Med Chem Lett 12: 641-3 (2002) BindingDB Entry DOI: 10.7270/Q2SN089N
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