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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 = 'BDBM256802'   
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))		BDBM256802
PNG
(US9489013, 73)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O |r|
Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 10 -46.4n/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