BDBM512616 acs.jmedchem.1c00409_ST.209

SMILES CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O

InChI Key InChIKey=FRACPXUHUTXLCX-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 512616   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512616(acs.jmedchem.1c00409_ST.209)
Affinity DataIC50: 670nMAssay 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)
Michigan State University

LigandPNGBDBM512616(acs.jmedchem.1c00409_ST.209)
Affinity DataKi:  900nMAssay 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(SARS-CoV)
Michigan State University

LigandPNGBDBM512616(acs.jmedchem.1c00409_ST.209)
Affinity DataEC50:  1.75E+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