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5 similar compounds to monomer 190761

Wt: 492.0
BDBM190745
Wt: 494.0
BDBM190750
Wt: 480
BDBM190773
Wt: 480
BDBM190787
Wt: 449.9
BDBM190796

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 190745,190750,190773,190787,190796   
Target
(Institution)
LigandTarget
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 (BACE2)


(Homo sapiens (human))
BDBM190773
PNG
(US9181236, 62g)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2
PDB
MMDB

KEGG

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US Patent
0.900n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190796
PNG
(US9181236, 64)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1
Show InChI InChI=1/C20H20ClN3O3S2/c1-19(10-29(25,26)20(6-7-20)18(22)24-19)17-12(21)9-15(28-17)13-8-11-4-3-5-14(27-2)16(11)23-13/h3-5,8-9,23H,6-7,10H2,1-2H3,(H2,22,24)/t19-/s2
PDB
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US Patent
1n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190787
PNG
(US9181236, 63f)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21+/s2
PDB
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1.5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190750
PNG
(US9181236, 48)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1
Show InChI InChI=1/C22H24ClN3O4S2/c1-21(12-32(27,28)22(20(24)26-21)6-8-30-9-7-22)19-14(23)11-17(31-19)15-10-13-4-3-5-16(29-2)18(13)25-15/h3-5,10-11,25H,6-9,12H2,1-2H3,(H2,24,26)/t21-/s2
PDB
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2n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190745
PNG
(US9181236, 44)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1
Show InChI InChI=1/C23H26ClN3O3S2/c1-22(13-32(28,29)23(21(25)27-22)9-4-3-5-10-23)20-15(24)12-18(31-20)16-11-14-7-6-8-17(30-2)19(14)26-16/h6-8,11-12,26H,3-5,9-10,13H2,1-2H3,(H2,25,27)/t22-/s2
PDB
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KEGG

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2n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM190773
PNG
(US9181236, 62g)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
6.30n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM190796
PNG
(US9181236, 64)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1
Show InChI InChI=1/C20H20ClN3O3S2/c1-19(10-29(25,26)20(6-7-20)18(22)24-19)17-12(21)9-15(28-17)13-8-11-4-3-5-14(27-2)16(11)23-13/h3-5,8-9,23H,6-7,10H2,1-2H3,(H2,22,24)/t19-/s2
PDB
MMDB

KEGG

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US Patent
10n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM190787
PNG
(US9181236, 63f)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21+/s2
PDB
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US Patent
14.2n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM190750
PNG
(US9181236, 48)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1
Show InChI InChI=1/C22H24ClN3O4S2/c1-21(12-32(27,28)22(20(24)26-21)6-8-30-9-7-22)19-14(23)11-17(31-19)15-10-13-4-3-5-16(29-2)18(13)25-15/h3-5,10-11,25H,6-9,12H2,1-2H3,(H2,24,26)/t21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
19.8n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM190745
PNG
(US9181236, 44)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1
Show InChI InChI=1/C23H26ClN3O3S2/c1-22(13-32(28,29)23(21(25)27-22)9-4-3-5-10-23)20-15(24)12-18(31-20)16-11-14-7-6-8-17(30-2)19(14)26-16/h6-8,11-12,26H,3-5,9-10,13H2,1-2H3,(H2,25,27)/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
20.2n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair