BDBM50602444 CHEMBL5206501

SMILES C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1

InChI Key InChIKey=RYGJIKURQDMMQZ-UHFFFAOYSA-N

Data  2 KI  4 IC50  1 Kd

  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 9 hits for monomerid = 50602444   

TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 200nMAssay Description:Non-covalent inhibition of SARS-Cov-2 -Mpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 310nMAssay Description:Non-covalent inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 660nMAssay Description:Inhibition of 2019-nCoV-2 3CLp using fluorescent substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataKi:  2.29E+3nMAssay Description:Non-covalent inhibition to SARS-CoV-2 -Mpro assessed as inhibition constant by native mass spectrometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCalpain-1 catalytic subunit(Human)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 6.00E+3nMAssay Description:Non-covalent inhibition of Calpain 1 (unknown origin) incubated for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataKd:  9.43E+3nMAssay Description:Stabilization in SARS-CoV-2 MPro assessed as binding constant incubated for 30 mins in presence of DTT by thermal shift binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetProcathepsin L(Human)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 1.05E+4nMAssay Description:Non-covalent inhibition of Cathepsin L (unknown origin) incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataIC50: 6.00E+4nMAssay Description:Non-covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The University of Arizona

Curated by ChEMBL
LigandPNGBDBM50602444(CHEMBL5206501)
Affinity DataKi:  1.01E+5nMAssay Description:Binding affinity to N-terminal full length SARS-CoV-2 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed