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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 = 'BDBM402427'   
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))		BDBM402427
PNG
(US10329291, Example 18)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r|
Show InChI InChI=1S/C22H22FN5O4S/c1-3-11-32-15-7-9-18(25-13-15)20(29)26-14-6-8-17(23)16(12-14)22-10-4-5-19(22)33(30,31)28(2)21(24)27-22/h1,6-9,12-13,19H,4-5,10-11H2,2H3,(H2,24,27)(H,26,29)/t19-,22-/m1/s1
PDB

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PC cid
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UniChem
US Patent
 17n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...

Bioorg Med Chem 17: 6590-605 (2009)


BindingDB Entry DOI: 10.7270/Q2ZW1P72
More data for this
Ligand-Target Pair