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SMILES: [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)NCCc4ccccc4)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50567453   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Spike glycoprotein


(SARS-CoV)		BDBM50567453
PNG
(CHEMBL4865746)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)NCCc4ccccc4)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:38|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of spike glycoprotein S in SARS-CoV-2 pseudovirus infected human 293T/ACE2 cells assessed as inhibition of viral infection measured after ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113242
BindingDB Entry DOI: 10.7270/Q27W6GZC
More data for this
Ligand-Target Pair