Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Spike glycoprotein' and Ligand = 'BDBM540821'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Spike glycoprotein (2019-nCoV)	BDBM540821 ((1-(3- methylphenyl)-1H- 1,2,3-triazol- 4-yl)methy...) Show SMILES Cc1cccc(c1)-n1cc(COC(=O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)nn1 |r,t:24| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/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
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