BDBM50633626 CHEMBL5430305

SMILES CC(C)(O)c1ccccc1CC[C@@H](SCCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key InChIKey=ULYXGVFINMIDNM-UHFFFAOYSA-M

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50633626   

TargetReplicase polyprotein 1ab(2019-nCoV)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50633626(CHEMBL5430305)
Affinity DataIC50: 3.27E+3nMAssay Description:Non-covalent inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using MCA-labeled substrate by FRET-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50633626(CHEMBL5430305)
Affinity DataIC50: 3.68E+3nMAssay Description:Non-covalent inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using using Edans-labeled substrate by FRET-base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50633626(CHEMBL5430305)
Affinity DataIC50: 7.40E+3nMAssay Description:Non-covalent inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using MCA-labeled substrate by FRET-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50633626(CHEMBL5430305)
Affinity DataIC50: 4.48E+4nMAssay Description:Non-covalent inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using Edans-labeled substrate by FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed