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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM242930'   
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
Beta-secretase 2


(Homo sapiens (Human))		BDBM242930
PNG
(US9422255, 8a)
Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
Show InChI InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 5 -48.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...

US Patent US9422255 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XXS
More data for this
Ligand-Target Pair