BDBM50627257 CHEMBL5411456

SMILES O=C(CCOCCOCCOCCOCCC(=O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O

InChI Key InChIKey=KNKIFVFRPHNODC-UHFFFAOYSA-N

Data  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50627257   

TargetSpike glycoprotein(2019-nCoV)
Instituto De Quimica Medica (IQM)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627257BDBM50627257(CHEMBL5411456)
Affinity DataKd:  1.36E+4nMAssay Description:Binding affinity to Poly-his tagged SARS-CoV-2 Wuhan Spike protein (1 to 1208 residues) assessed as dissociation constant incubated for 15 mins by MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Instituto De Quimica Medica (IQM)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627257BDBM50627257(CHEMBL5411456)
Affinity DataKd:  3.54E+4nMAssay Description:Binding affinity to Poly-his tagged SARS-CoV-2 Wuhan Spike protein RBD assessed as dissociation constant incubated for 15 mins by MST analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed