BDBM535146 WO2022013684, Example 13

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C

InChI Key InChIKey=YRVUYLOYGWBKJC-ZXSGVSCISA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 535146   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM535146(WO2022013684, Example 13)
Affinity DataKi:  139nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Experimental Drug Development Centre

Curated by ChEMBL
LigandPNGBDBM535146(WO2022013684, Example 13)
Affinity DataIC50:  239nMAssay Description:Inhibition of full length C terminal His-tagged Human coronavirus 229E 3CLpro expressed in Escherichia coli Rosetta (DE3) cells using (DABCYL)KTSAVLQ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

WIPO
LigandPNGBDBM535146(WO2022013684, Example 13)
Affinity DataIC50:  27nMAssay Description:Inhibition of full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed