BDBM419129 3CLpro inhibitor 6h

SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O

InChI Key InChIKey=MODFCHUDBQIQAH-HBSJQHRPSA-M

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 419129   

TargetOrf1a protein(MERS-CoV)
Wichita State University

LigandPNGBDBM419129(3CLpro inhibitor 6h)
Affinity DataIC50:  70nMAssay Description:The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

LigandPNGBDBM419129(3CLpro inhibitor 6h)
Affinity DataEC50:  900nMAssay Description:Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Wichita State University

LigandPNGBDBM419129(3CLpro inhibitor 6h)
Affinity DataIC50:  430nMAssay Description:The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Wichita State University

LigandPNGBDBM419129(3CLpro inhibitor 6h)
Affinity DataIC50:  2.30E+3nMAssay Description:The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed