BDBM513874 bioRxiv20220126.477782, S-217622::bioRxiv20220126.477782, Screening Hit 2

SMILES Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

InChI Key InChIKey=QMPBBNUOBOFBFS-UHFFFAOYSA-N

Data  12 IC50  6 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 6 hits for monomerid = 513874   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  370nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(SARS-CoV)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  210nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(MERS-CoV)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  1.40E+3nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(HCoV-229E)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  5.50E+3nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(HCoV-OC43)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  74nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetTransmembrane protease serine 2(Human)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  370nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails