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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 = 'BDBM352262'   
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))		BDBM352262
PNG
(US9802928, 1r)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
Show InChI InChI=1S/C19H19F2N5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
 8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...

US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair