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Patent code US8492387

Compile Data Set for Download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
BDBM98554
PNG
(US8492387, 114)
Show SMILES COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1
Show InChI InChI=1S/C27H25F3N4O/c1-35-21-8-9-22-20(13-21)11-12-26(22,14-19-7-10-23(32-15-19)27(28,29)30)24-17-34(25(31)33-24)16-18-5-3-2-4-6-18/h2-10,13,15,17H,11-12,14,16H2,1H3,(H2,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 63n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98549
PNG
(US8492387, 18)
Show SMILES COc1ccc(cc1)C(Cc1cccc(Br)c1)c1cn(C)c(N)n1
Show InChI InChI=1S/C19H20BrN3O/c1-23-12-18(22-19(23)21)17(11-13-4-3-5-15(20)10-13)14-6-8-16(24-2)9-7-14/h3-10,12,17H,11H2,1-2H3,(H2,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 900n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98553
PNG
(US8492387, 122)
Show SMILES COc1ccc2c(CCC2(Cc2cc(ccc2OC)[N+]([O-])=O)c2cn(C)c(N)n2)c1
Show InChI InChI=1S/C22H24N4O4/c1-25-13-20(24-21(25)23)22(9-8-14-11-17(29-2)5-6-18(14)22)12-15-10-16(26(27)28)4-7-19(15)30-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20E+3n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98555
PNG
(US8492387, 126)
Show SMILES COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(CCCO)c(N)n2)c1
Show InChI InChI=1S/C23H25F3N4O2/c1-32-17-4-5-18-16(11-17)7-8-22(18,20-14-30(9-2-10-31)21(27)29-20)12-15-3-6-19(28-13-15)23(24,25)26/h3-6,11,13-14,31H,2,7-10,12H2,1H3,(H2,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30E+3n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98557
PNG
(US8492387, 2)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1[nH]c(N)nc1C(O)c1ccccc1
Show InChI InChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+3n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98550
PNG
(US8492387, 45)
Show SMILES COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1
Show InChI InChI=1S/C26H23ClF3N3O/c1-33-15-24(32-25(33)31)22(17-6-9-20(34-2)10-7-17)13-16-4-3-5-18(12-16)21-11-8-19(14-23(21)27)26(28,29)30/h3-12,14-15,22H,13H2,1-2H3,(H2,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98556
PNG
(US8492387, 3)
Show SMILES Cn1cc(nc1N)C1(Cc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C20H21N3/c1-23-14-18(22-19(23)21)20(13-15-7-3-2-4-8-15)12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H2,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98552
PNG
(US8492387, 66)
Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1ccc(=O)[nH]c1)c1cn(C)c(N)n1
Show InChI InChI=1S/C24H24N4O2/c1-28-15-22(27-24(28)25)21(18-7-10-20(30-2)11-8-18)13-16-3-5-17(6-4-16)19-9-12-23(29)26-14-19/h3-12,14-15,21H,13H2,1-2H3,(H2,25,27)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+4n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM98551
PNG
(US8492387, 52)
Show SMILES COc1ccc(cc1)C1(CCCCC1)c1cn(C)c(N)n1
Show InChI InChI=1S/C17H23N3O/c1-20-12-15(19-16(20)18)17(10-4-3-5-11-17)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+4n/an/an/an/a6.5n/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.


US Patent US8492387 (2013)


BindingDB Entry DOI: 10.7270/Q2DB80FN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%