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BDBM113265 US8633212, 43::US9212153, 43

SMILES: CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N

InChI Key: InChIKey=OBVWPDZIMHUUSX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113265   
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))
BDBM113265
PNG
(US8633212, 43 | US9212153, 43)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 178n/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))
BDBM113265
PNG
(US8633212, 43 | US9212153, 43)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 178n/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