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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Spike glycoprotein' and Ligand = 'BDBM540815'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Spike glycoprotein


(2019-nCoV)		BDBM540815
PNG
(Propargyl-(2alpha)-2- (propargyloxy)- (3beta)-3-hy...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCC#C)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.52E+4n/an/an/an/an/an/a


TBA

Assay Description
The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7KG9
More data for this
Ligand-Target Pair