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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 = 'BDBM372811'   
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))		BDBM372811
PNG
((1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
Show InChI InChI=1S/C22H20F2N4O3S2/c1-4-7-31-19-12-26-17(11-27-19)16(24)9-13-5-6-15(23)14(8-13)21(2)18-10-22(18,33(3,29)30)32-20(25)28-21/h1,5-6,8-9,11-12,18H,7,10H2,2-3H3,(H2,25,28)/b16-9-/t18-,21+,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



University of Southampton



Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...

J Med Chem 49: 6652-5 (2006)


BindingDB Entry DOI: 10.7270/Q23J3G8K
More data for this
Ligand-Target Pair