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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 = 'BDBM249101'   
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))		BDBM249101
PNG
(US9453034, 25)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
Show InChI InChI=1S/C23H25FN6O3S/c1-22(14-34(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-16(4-5-18(17)24)28-20(31)19-6-3-15(12-25)13-27-19/h3-6,11,13H,7-10,14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 8.40 -46.9n/an/an/an/an/a5.030



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 US9453034 (2016)


BindingDB Entry DOI: 10.7270/Q27P8XBC
More data for this
Ligand-Target Pair