BDBM50582787 CHEMBL5088895

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key InChIKey=RVBOVQZYZBAOSV-LSEJGAGWSA-N

Data  3 Kd

  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 3 hits for monomerid = 50582787   

TargetSpike glycoprotein(2019-nCoV)
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM50582787(CHEMBL5088895)
Affinity DataKd:  4.00E+3nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSpike glycoprotein(2019-nCoV)
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM50582787(CHEMBL5088895)
Affinity DataKd:  2.20E+3nMAssay Description:Binding affinity to biotinylated recombinant SARS-COV2 S-RBD by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSpike glycoprotein(2019-nCoV)
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM50582787(CHEMBL5088895)
Affinity DataKd:  0.0300nMAssay Description:Binding affinity of SARS-COV2 S-RBD by BLI assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed