BDBM420993 US9975885, Compound 47

SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1c[nH]cn1

InChI Key

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

  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 9 hits for monomerid = 420993   

TargetReplicase polyprotein 1ab(FCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  6.90E+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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(PEDV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  700nMAssay 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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(HCoV-NL63)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  6.30E+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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(HCoV-HKU1)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  3.40E+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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  6.40E+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 InfoPDB
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  1.70E+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 InfoPDB
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  1.90E+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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  2.50E+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 InfoPDB
In DepthDetails
US Patent

TargetReplicase polyprotein 1ab(HCoV-OC43)
Purdue Research Foundation

US Patent
LigandPNGBDBM420993(US9975885, Compound 47)
Affinity DataIC50:  7.70E+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 InfoPDB
In DepthDetails
US Patent