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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342433'   
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 1


(Homo sapiens (Human))		BDBM342433
PNG
(N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1|
Show InChI InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9771379 (2017)


BindingDB Entry DOI: 10.7270/Q2R78HC1
More data for this
Ligand-Target Pair