BDBM420975 US9975885, Compound 31

SMILES CC(C)(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1

InChI Key InChIKey=VBVYKHHWNTWNAF-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 420975   

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

US Patent
LigandPNGBDBM420975(US9975885, Compound 31)
Affinity DataIC50:  1.18E+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 Info
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420975(US9975885, Compound 31)
Affinity DataIC50:  5.80E+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 Info
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420975(US9975885, Compound 31)
Affinity DataIC50:  1.10E+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 Info
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420975(US9975885, Compound 31)
Affinity DataIC50:  900nMAssay 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 Info
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420975(US9975885, Compound 31)
Affinity DataIC50:  4.20E+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 Info
In DepthDetails US Patent