BDBM420996 US9975885, Compound 77

SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)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 = 420996   

TargetReplicase polyprotein 1ab(FCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  3.30E+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 InfoPurchasePDB
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(PEDV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  500nMAssay 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 InfoPurchasePDB
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  5.10E+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 InfoPurchasePDB
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  5.00E+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 InfoPurchasePDB
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  3.60E+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 InfoPurchasePDB
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  2.30E+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 InfoPurchasePDB
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
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 InfoPurchasePDB
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  2.40E+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 InfoPurchasePDB
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420996(US9975885, Compound 77)
Affinity DataIC50:  7.00E+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 InfoPurchasePDB
In DepthDetails US Patent