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

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)\C=C\C(=O)OCc1ccccc1

InChI Key InChIKey=IDBWWEGDLCFCTD-VNEMRZQUSA-N

Data  2 KI  2 IC50  1 EC50

  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 5 hits for monomerid = 419120   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University Of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University Of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University Of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
Affinity DataIC50:  9.00E+3nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed