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BDBM113264 US8633212, 42::US9212153, 42

SMILES: COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1

InChI Key: InChIKey=WQOVFIOFMYBYHK-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 = 113264   
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))
BDBM113264
PNG
(US8633212, 42 | US9212153, 42)
Show SMILES COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C25H27ClFN3O2/c1-30-22(31)14-25(29-23(30)28)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13-14H2,1-2H3,(H2,28,29)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 173n/an/an/an/an/an/a



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))
BDBM113264
PNG
(US8633212, 42 | US9212153, 42)
Show SMILES COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C25H27ClFN3O2/c1-30-22(31)14-25(29-23(30)28)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13-14H2,1-2H3,(H2,28,29)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 173n/an/an/an/an/an/a



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