BDBM496902 CVD-0018409::PF-07321332::US11351149, Example 13::US11753373, Compound D-1-d::US20230391736, Example PF-07321332::WO2021250648, Example 13::science.abl4784, 6

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#N)C2(C)C

InChI Key InChIKey=LIENCHBZNNMNKG-OJFNHCPVSA-N

Data  10 KI  15 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 496902   

TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496902(CVD-0018409 | PF-07321332 | US11351149, Example 13...)
Affinity DataKi:  3.11nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Pfizer

LigandPNGBDBM496902(CVD-0018409 | PF-07321332 | US11351149, Example 13...)
Affinity DataEC50:  75nMAssay Description:VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE...More data for this Ligand-Target Pair
In DepthDetails