BDBM50602760 CHEMBL5177264

SMILES OCC1Cc2c(cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c12)-c1cc(C=O)ccn1

InChI Key InChIKey=CYRDCAMECXSHES-UHFFFAOYSA-N

Data  1 KI  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50602760   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602760(CHEMBL5177264)
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602760(CHEMBL5177264)
Affinity DataIC50: 5.32E+3nMAssay Description:Inhibition of SARS-CoV 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602760(CHEMBL5177264)
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of SARS-CoV-2 Main protease using as Dabcyl-KNSTLQSGLRKE-Edans substrate preincubated for 10 mins followed by substrate addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602760(CHEMBL5177264)
Affinity DataKi:  7.64E+3nMAssay Description:Mixed type inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by Lineweaver-Burk pl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed