BDBM50594612 CHEMBL5185160

SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N

InChI Key InChIKey=YUUOVSLHZXGIKO-BXWFABGCSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50594612   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594612(CHEMBL5185160)
Affinity DataIC50:  13nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin S(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594612(CHEMBL5185160)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin B(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594612(CHEMBL5185160)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetProcathepsin L(Homo sapiens (Human))
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594612(CHEMBL5185160)
Affinity DataIC50:  640nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed