BDBM50598454 CHEMBL5195352

SMILES NC(=S)N\N=C\c1ccc(o1)-c1ccc(C(O)=O)c(O)c1

InChI Key InChIKey=VYIXDWVMGJFRGR-UHFFFAOYSA-N

Data  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 6 hits for monomerid = 50598454   

TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 1.57E+3nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 4.28E+4nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 5 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 6.18E+3nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 850nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 180 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetProcathepsin L(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 1.63E+4nMAssay Description:Inhibition of human Cathepsin L using Ac-FR-AFC as fluorescent substrate preincubated for 15 mins followed by substrate addition and measured after 3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598454(CHEMBL5195352)
Affinity DataIC50: 1.57E+3nMAssay Description:Inhibition of SARA-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed