BDBM420978 US9975885, Compound 33

SMILES O=C(Cn1nnc2ccccc12)N(C(C(=O)NC1CCCC1)c1ccsc1)c1ccc(NC(=O)C2CC2)cc1

InChI Key InChIKey=ZZQICCIBXSGDRY-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 = 420978   

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

US Patent
LigandPNGBDBM420978(US9975885, Compound 33)
Affinity DataIC50:  3.70E+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 Info
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420978(US9975885, Compound 33)
Affinity DataIC50:  7.30E+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 Info
In DepthDetails US Patent

TargetReplicase polyprotein 1ab(BtCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM420978(US9975885, Compound 33)
Affinity DataIC50:  600nMAssay 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
LigandPNGBDBM420978(US9975885, Compound 33)
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 Info
In DepthDetails US Patent

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

US Patent
LigandPNGBDBM420978(US9975885, Compound 33)
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