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24 similar compounds to monomer 190708

Compile data set for download or QSAR
Wt: 480.9
BDBM190729
Wt: 436.8
BDBM190697
Wt: 420.4
BDBM190699
Wt: 438.4
BDBM190700
Wt: 450.9
BDBM190702
Wt: 452.4
BDBM190705
Wt: 446.4
BDBM190706
Wt: 441.4
BDBM190707
Wt: 448.4
BDBM190709
Wt: 498.4
BDBM190710
Wt: 460.5
BDBM190711
Wt: 499.4
BDBM190712
Wt: 499.3
BDBM190714
Wt: 478.9
BDBM190720
Wt: 462.5
BDBM190721
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 190729,190697,190699,190700,190702,190705,190706,190707,190709,190710,190711,190712,190714,190720,190721   
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 2


(Homo sapiens (Human))
BDBM190709
PNG
(US9181236, 13)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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US Patent
0.300 -13.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190697
PNG
(US9181236, 1)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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US Patent
0.400 -13.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190700
PNG
(US9181236, 4)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1
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US Patent
0.5 -12.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190711
PNG
(US9181236, 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1
Show InChI InChI=1S/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1
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US Patent
0.600 -12.8n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190714
PNG
(US9181236, 18)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1
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US Patent
0.800 -12.6n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190699
PNG
(US9181236, 3)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H18F2N4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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US Patent
0.900 -12.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190697
PNG
(US9181236, 1)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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US Patent
1.60 -12.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190729
PNG
(US9181236, 33)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H22ClFN4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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US Patent
1.60 -12.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190702
PNG
(US9181236, 6)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
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US Patent
1.90 -12.1n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190710
PNG
(US9181236, 14)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C22H22F4N4O3S/c1-20(12-34(32,33)21(19(27)30-20)8-2-3-9-21)15-10-14(5-6-16(15)23)29-18(31)17-7-4-13(11-28-17)22(24,25)26/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1
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US Patent
2.10 -12.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190710
PNG
(US9181236, 14)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C22H22F4N4O3S/c1-20(12-34(32,33)21(19(27)30-20)8-2-3-9-21)15-10-14(5-6-16(15)23)29-18(31)17-7-4-13(11-28-17)22(24,25)26/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1
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US Patent
2.20 -12.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190705
PNG
(US9181236, 9)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3S/c1-19(10-31(29,30)20(5-2-6-20)18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1
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US Patent
2.5 -11.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190714
PNG
(US9181236, 18)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1
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US Patent
2.70 -11.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190709
PNG
(US9181236, 13)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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US Patent
3.10 -11.8n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190721
PNG
(US9181236, 25)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H24F2N4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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US Patent
4.40 -11.6n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190700
PNG
(US9181236, 4)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1
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5 -11.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190711
PNG
(US9181236, 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1
Show InChI InChI=1S/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1
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US Patent
5.20 -11.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190707
PNG
(US9181236, 11)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F
Show InChI InChI=1S/C21H20FN5O3S/c1-20(12-31(29,30)21(8-3-9-21)19(23)27-20)15-10-13(4-6-16(15)22)26-18(28)17-7-5-14(24-2)11-25-17/h4-7,10-11H,3,8-9,12H2,1H3,(H2,23,27)(H,26,28)/t20-/m0/s1
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US Patent
5.40 -11.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190699
PNG
(US9181236, 3)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H18F2N4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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5.5 -11.4n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190729
PNG
(US9181236, 33)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H22ClFN4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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6.10 -11.4n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190702
PNG
(US9181236, 6)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
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8 -11.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190720
PNG
(US9181236, 24)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C22H24ClFN4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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8.40 -11.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190706
PNG
(US9181236, 10)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1
Show InChI InChI=1S/C21H23FN4O4S/c1-20(12-31(28,29)21(8-3-9-21)19(23)26-20)15-10-13(4-6-16(15)22)25-18(27)17-7-5-14(30-2)11-24-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1
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10.7 -11.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190705
PNG
(US9181236, 9)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3S/c1-19(10-31(29,30)20(5-2-6-20)18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1
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12.6 -10.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190712
PNG
(US9181236, 16)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H21F4N5O3S/c1-19(11-34(32,33)20(18(26)30-19)6-2-3-7-20)13-8-12(4-5-14(13)22)29-17(31)15-9-28-16(10-27-15)21(23,24)25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,26,30)(H,29,31)/t19-/m0/s1
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13 -10.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190720
PNG
(US9181236, 24)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C22H24ClFN4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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<20<-10.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190706
PNG
(US9181236, 10)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1
Show InChI InChI=1S/C21H23FN4O4S/c1-20(12-31(28,29)21(8-3-9-21)19(23)26-20)15-10-13(4-6-16(15)22)25-18(27)17-7-5-14(30-2)11-24-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1
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<20<-10.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190707
PNG
(US9181236, 11)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F
Show InChI InChI=1S/C21H20FN5O3S/c1-20(12-31(29,30)21(8-3-9-21)19(23)27-20)15-10-13(4-6-16(15)22)26-18(28)17-7-5-14(24-2)11-25-17/h4-7,10-11H,3,8-9,12H2,1H3,(H2,23,27)(H,26,28)/t20-/m0/s1
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<20<-10.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM190712
PNG
(US9181236, 16)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H21F4N5O3S/c1-19(11-34(32,33)20(18(26)30-19)6-2-3-7-20)13-8-12(4-5-14(13)22)29-17(31)15-9-28-16(10-27-15)21(23,24)25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,26,30)(H,29,31)/t19-/m0/s1
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US Patent
<20<-10.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM190721
PNG
(US9181236, 25)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H24F2N4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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32 -10.4n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZZB
More data for this
Ligand-Target Pair