BDBM419120 acs.jmedchem.1c00409_ST.487::cmdc.202100576, 8d(N3)::the N3 Compound

SMILES Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3

InChI Key InChIKey=IDBWWEGDLCFCTD-UHFFFAOYSA-N

Data  3 KI  2 IC50  1 EC50

  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 6 hits for monomerid = 419120   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataIC50: 1.25E+5nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataEC50:  1.68E+4nMAssay Description:To further substantiate the enzymatic inhibition results in vitro, we evaluated whether these compounds could prevent viral replication in cell-based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Experimental Drug Development Centre

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataIC50: 9.00E+3nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Experimental Drug Development Centre

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataKi:  9.00E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataKi:  9.00E+3nMAssay Description:Binding affinity to SARS CoV-2 main protease pH41A mutant expressed in Escherichia coli BL21 DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Experimental Drug Development Centre

LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataKi:  9.00E+3nMAssay Description:Binding affinity to SARS-CoV-1 MPro assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed