BDBM674665 US20240158368, Compound 12

SMILES Cc1cc(C(=O)N[C@@H]2CCN(C2)c2c(cc(cc2C(=O)N2CCOCC2)C#N)C(F)F)c(F)c(=O)[nH]1

InChI Key InChIKey=XMIIUVPILATVPX-UHFFFAOYSA-N

Data  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 4 hits for monomerid = 674665   

TargetReplicase polyprotein 1ab(2019-nCoV)
Abbvie

US Patent
LigandPNGBDBM674665(US20240158368, Compound 12)
Affinity DataEC50:  1.02nMAssay Description:SARS-CoV-2 Mpro biochemical assays were performed in 8 μL in 384-well Proxi-Plus plate (PerkinElmer, Waltham, MA USA) at ambient temperature in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2024
Entry Details
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TargetOrf1a protein(MERS-CoV)
Abbvie

US Patent
LigandPNGBDBM674665(US20240158368, Compound 12)
Affinity DataEC50:  2.65nMAssay Description:SARS-CoV-2 Mpro biochemical assays were performed in 8 μL in 384-well Proxi-Plus plate (PerkinElmer, Waltham, MA USA) at ambient temperature in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(HCoV-OC43)
Abbvie

US Patent
LigandPNGBDBM674665(US20240158368, Compound 12)
Affinity DataEC50:  23.4nMAssay Description:SARS-CoV-2 Mpro biochemical assays were performed in 8 μL in 384-well Proxi-Plus plate (PerkinElmer, Waltham, MA USA) at ambient temperature in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(HCoV-229E)
Abbvie

US Patent
LigandPNGBDBM674665(US20240158368, Compound 12)
Affinity DataEC50:  90.4nMAssay Description:SARS-CoV-2 Mpro biochemical assays were performed in 8 μL in 384-well Proxi-Plus plate (PerkinElmer, Waltham, MA USA) at ambient temperature in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2024
Entry Details
Go to US Patent