BDBM496896 US11312704, Compound 101::US11351149, Example 49::US11472793, Compound 101::US11753373, Compound A-5-b::WO2021250648, Example 4::science.abl4784, 2

SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N

InChI Key InChIKey=ZYTJDBYJYAWQKF-MPGHIAIKSA-N

Data  3 KI  10 IC50  4 EC50

  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 17 hits for monomerid = 496896   

TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataKi:  26nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataKi:  28nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataKi:  83nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataEC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(HCoV-229E)
Pardes Biosciences

US Patent
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataEC50: <2.00E+3nMAssay Description:Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  84.2nMAssay Description:Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  40nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetProcathepsin L(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  1.45E+3nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin B(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataEC50:  1.36E+3nMAssay Description:The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  26nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin S(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataIC50:  700nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataEC50:  1.36E+3nMAssay Description:VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails