BDBM50176014 (S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate::4-{(1R,5S)-6-Methyl-2-(3-methyl-but-2-enyl)-5-[((S)-5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester::CHEMBL196635::N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE::acs.jmedchem.1c00409_ST.729

SMILES [#6]-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-c1cc(-[#6])on1)-[#6](-[#6])-[#6]

InChI Key InChIKey=CSNQHKJCKPMZCY-YFUAOJPXSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50176014   

TargetReplicase polyprotein 1a(SARS-CoV)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50176014((S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-e...)
Affinity DataIC50:  7.00E+4nMAssay Description:Inhibitory concentration required for antiviral activity against SARS-CoV 3CLpro proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM50176014((S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-e...)
Affinity DataIC50:  7.00E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM50176014((S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-e...)
Affinity DataIC50:  8.00E+5nMAssay Description:Inhibition of SARS-CoV 3C-like protease by FRET based microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed