BDBM50592859 CHEMBL5199388

SMILES OB1OCc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc12

InChI Key InChIKey=GHUDHIUTQRFWGW-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 EC50

  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 = 50592859   

TargetReplicase polyprotein 1ab(2019-nCoV)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50592859(CHEMBL5199388)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using 2-Abz-Ser-AlaVal-Leu-Gln-Ser-Gly-Tyr(3-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50592859(CHEMBL5199388)
Affinity DataEC50:  2.40E+3nMAssay Description:Inhibition of full length DENV2 NS2B-NS3 protease in human HeLa cells expressing luciferase reporter gene incubated for 24 hrs by luminescence analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50592859(CHEMBL5199388)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of N-terminal full length SARS-CoV-2 Main protease using Thr-Ser-Ala-Val-Leu-Gln-pNA as substrate preincubated for 30 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50592859(CHEMBL5199388)
Affinity DataKi:  6.20E+3nMAssay Description:Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant by Michaelis-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed