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BDBM113279 US8633212, 57::US8633212, 62::US9212153, 62

SMILES: CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N

InChI Key: InChIKey=WGLDRGVBLRCVPG-MNZGCLKASA-N

Data: 4 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 4 hits for monomerid = 113279   
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 (BACE)


(Homo sapiens (Human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 936n/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
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.11E+3n/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 (1-458 aa)


(Homo sapiens (human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 936n/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))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.11E+3n/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