BDBM496891 GRL-2420

SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)c1nc2ccccc2s1

InChI Key InChIKey=DHQWCSDZTRDSRP-XIBGDNMGSA-N

Data  1 KI  1 EC50

PDB links: 2 PDB IDs match 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 = 496891   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496891(GRL-2420)
Affinity DataKi:  18nMAssay Description:IC50 values were determined for compounds that covalently inhibit SARS-CoV-2 3CLpro using our recently described assay and data fitting methods that ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496891(GRL-2420)
Affinity DataEC50:  4.20E+3nMAssay Description:VeroE6 cells and TMPRSS2-overexpressing VeroE6 (VeroE6TMPRSS2) cells were obtained from the Japanese Collection of Research Bioresource...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB