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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 = 'BDBM342436'   
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))		BDBM342436
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)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1|
Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.97E+3n/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