BDBM50617978 CHEMBL1488059

SMILES O=C(CSC#N)N1c2ccccc2CCc2ccccc12

InChI Key InChIKey=BWJPRMXKIWYPAB-UHFFFAOYSA-N

Data  1 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50617978   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 2.21E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of SARS-CoV-2 PLpro using RLRGG-AMC as fluorogenic substrate preincubated with compound for 30 mins followed by substrate addition by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetChymotrypsinogen B2(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Chymotrypsin (unknown origin) using N-succinyl-AAPF-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin B(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Cathepsin B (unknown origin) using Z-RR-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin G(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Cathepsin G (unknown origin) measured for 1 to 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCaspase-6(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Caspase-6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617978(CHEMBL1488059)
Affinity DataKi:  4.36E+4nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) assessed as inhibition constan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed