BDBM420954 US9975885, Compound 15

SMILES CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1cccnc1)C(=O)Cn1nnc2ccccc12

InChI Key InChIKey=WZYXFLGBGJLBDC-UHFFFAOYSA-N

Data  3 IC50

  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 = 420954   

TargetReplicase polyprotein 1ab(SARS-CoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420954(US9975885, Compound 15)
Affinity DataIC50: 1.09E+4nMAssay Description:The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420954(US9975885, Compound 15)
Affinity DataIC50: 4.00E+3nMAssay Description:The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420954(US9975885, Compound 15)
Affinity DataIC50: 9.60E+3nMAssay Description:The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent