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19 similar compounds to monomer 155133

Compile data set for download or QSAR
Wt: 446.9
BDBM155140
Wt: 446.9
BDBM155141
Wt: 446.9
BDBM155142
Wt: 446.9
BDBM155143
Wt: 442.5
BDBM155134
Wt: 423.5
BDBM136737
Wt: 421.5
BDBM136861
Wt: 482.4
BDBM136873
Wt: 416.4
BDBM136743
Wt: 416.4
BDBM136744
Wt: 412.5
BDBM136834
Wt: 421.5
BDBM136852
Wt: 446.5
BDBM136850
Wt: 428.5
BDBM136854
Wt: 428.5
BDBM136856
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 155140,155141,155142,155143,155134,136737,136861,136873,136743,136744,136834,136852,136850,136854,136856   
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


(Homo sapiens (Human))
BDBM136737
PNG
(US8865911, 20c)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c1-16-24(29)31-26(30-16)23-12-19(21-10-17(14-27)9-18(11-21)15-28)3-4-20(23)13-25(26)7-5-22(32-2)6-8-25/h3-4,9-12,22H,5-8,13H2,1-2H3,(H2,29,31)/t22-,25-,26?
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n/an/a 5.20n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155142
PNG
(US9000184, 11, isomer 1)
Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26?
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n/an/a 4.5n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136744
PNG
(US8865911, 20g Isomer 1)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25-/m0/s1
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n/an/a 2.5n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136834
PNG
(US8865911, 74)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1
Show InChI InChI=1S/C26H28N4O/c1-16-10-18(15-27)12-21(11-16)19-4-5-20-14-25(8-6-22(31-3)7-9-25)26(23(20)13-19)29-17(2)24(28)30-26/h4-5,10-13,22H,6-9,14H2,1-3H3,(H2,28,30)/t22-,25-,26?
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n/an/a 2.60n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136850
PNG
(US8865911, 87)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1
Show InChI InChI=1S/C26H27FN4O2/c1-15-24(29)31-26(30-15)21-11-16(18-10-19(14-28)23(27)22(12-18)33-3)4-5-17(21)13-25(26)8-6-20(32-2)7-9-25/h4-5,10-12,20H,6-9,13H2,1-3H3,(H2,29,31)/t20-,25-,26-/m0/s1
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n/an/a 2.20n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136852
PNG
(US8865911, 89)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1
Show InChI InChI=1S/C25H28FN3O2/c1-15-23(27)29-25(28-15)20-13-16(19-5-4-6-21(31-3)22(19)26)7-8-17(20)14-24(25)11-9-18(30-2)10-12-24/h4-8,13,18H,9-12,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/m0/s1
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n/an/a 3.30n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136854
PNG
(US8865911, 91)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1
Show InChI InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26?
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n/an/a 2.20n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136856
PNG
(US8865911, 92 Isomer 2)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1
Show InChI InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26-/m1/s1
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n/an/a 5.87E+3n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136861
PNG
(US8865911, 98)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1
Show InChI InChI=1S/C25H28FN3O2/c1-15-23(27)29-25(28-15)21-12-16(20-13-19(31-3)6-7-22(20)26)4-5-17(21)14-24(25)10-8-18(30-2)9-11-24/h4-7,12-13,18H,8-11,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/m0/s1
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n/an/a 1.5n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136873
PNG
(US8865911, 110)
Show SMILES COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1S/C26H25F3N4O2/c1-14-23(31)33-26(32-14)20-10-15(17-9-18(13-30)22(27)21(11-17)34-2)3-4-16(20)12-25(26)7-5-19(6-8-25)35-24(28)29/h3-4,9-11,19,24H,5-8,12H2,1-2H3,(H2,31,33)/t19-,25-,26?
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n/an/a 24n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155134
PNG
(US9000184, 6, isomer 2)
Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N
Show InChI InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26+,27?
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n/an/a 587n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155140
PNG
(US9000184, 10, isomer 1)
Show SMILES COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)
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n/an/a 5.70n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155141
PNG
(US9000184, 10, isomer 2)
Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26?
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n/an/a 392n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155142
PNG
(US9000184, 11, isomer 1)
Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26?
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n/an/a 3.60n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155143
PNG
(US9000184, 11, isomer 2)
Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26-/m0/s1
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n/an/a>5.00E+3n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155134
PNG
(US9000184, 6, isomer 2)
Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N
Show InChI InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26+,27?
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n/an/a 80n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155140
PNG
(US9000184, 10, isomer 1)
Show SMILES COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)
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n/an/a 3.10n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155141
PNG
(US9000184, 10, isomer 2)
Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26?
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n/an/a 92n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000184 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SDQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136743
PNG
(US8865911, 20g)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.10n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair