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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 = 'BDBM256765'   
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))		BDBM256765
PNG
(US9489013, 36)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r|
Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
 1 -52.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...

US Patent US9489013 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81C18
More data for this
Ligand-Target Pair