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BDBM113274 US8633212, 52::US9212153, 52

SMILES: COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N

InChI Key: InChIKey=GKVATHUIORNBEJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113274   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113274
PNG
(US8633212, 52 | US9212153, 52)
Show SMILES COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H28N4O2/c1-29-23(27)28-25(31-29)22-15-20(19-5-3-4-17(14-19)16-26)7-6-18(22)8-11-24(25)12-9-21(30-2)10-13-24/h3-7,14-15,21H,8-13H2,1-2H3,(H2,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 506n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113274
PNG
(US8633212, 52 | US9212153, 52)
Show SMILES COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H28N4O2/c1-29-23(27)28-25(31-29)22-15-20(19-5-3-4-17(14-19)16-26)7-6-18(22)8-11-24(25)12-9-21(30-2)10-13-24/h3-7,14-15,21H,8-13H2,1-2H3,(H2,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 506n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair