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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM150704'   
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))		BDBM150704
PNG
(US8981112, 11 | US9526727, 11 | US9949975, Example...)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C |r,t:17|
Show InChI InChI=1S/C25H32N4O3/c1-15-8-24(9-16(2)20(15)31-4)10-18-6-5-17(11-26)7-19(18)25(24)21(30)29(22(27)28-25)12-23(3)13-32-14-23/h5-7,15-16,20H,8-10,12-14H2,1-4H3,(H2,27,28)/t15-,16+,20+,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...

J Med Chem 52: 336-46 (2009)


BindingDB Entry DOI: 10.7270/Q25D8V5X
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM150704
PNG
(US8981112, 11 | US9526727, 11 | US9949975, Example...)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C |r,t:17|
Show InChI InChI=1S/C25H32N4O3/c1-15-8-24(9-16(2)20(15)31-4)10-18-6-5-17(11-26)7-19(18)25(24)21(30)29(22(27)28-25)12-23(3)13-32-14-23/h5-7,15-16,20H,8-10,12-14H2,1-4H3,(H2,27,28)/t15-,16+,20+,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/a4.4n/a



Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH

US Patent


Assay Description
The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...

US Patent US8981112 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HG6
More data for this
Ligand-Target Pair