BDBM50632389 CHEMBL5414494

SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](CC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(C)C)C(C)=O

InChI Key InChIKey=TYWKQDHRHCEMHV-UHFFFAOYSA-N

Data  3 Kd

  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 3 hits for monomerid = 50632389   

TargetReplicase polyprotein 1ab(2019-nCoV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50632389(CHEMBL5414494)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to wild type SARS-COV2 main protease expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by small angle X-ray...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50632389(CHEMBL5414494)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to SARS-COV2 main protease assessed as dissociation constant by analytical ultracentrifugation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50632389(CHEMBL5414494)
Affinity DataKd:  140nMAssay Description:Binding affinity to SARS-COV2 main protease assessed as dissociation constant by mass spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed