BDBM512601 acs.jmedchem.1c00409_ST.194

SMILES CC(C)C[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O

InChI Key InChIKey=PGSZEJLOKWOQSW-VRXHGMAYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 512601   

TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM512601(acs.jmedchem.1c00409_ST.194)
Affinity DataIC50:  321nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVL...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM512601(acs.jmedchem.1c00409_ST.194)
Affinity DataIC50:  508nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB