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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 = 'BDBM352257'   
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))		BDBM352257
PNG
(US9802928, 1m)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccc(cc4n3)C#N)ccc2F)C2(CC2)S1(=O)=O |r|
Show InChI InChI=1S/C22H20FN7O3S/c1-21(22(6-7-22)34(32,33)29(2)20(25)28-21)15-10-14(3-4-16(15)23)26-19(31)17-12-30-8-5-13(11-24)9-18(30)27-17/h3-5,8-10,12H,6-7H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 1.64E+3n/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