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22 similar compounds to monomer 155094

Compile data set for download or QSAR
Wt: 404.3
BDBM155109
Wt: 362.2
BDBM155096
Wt: 390.3
BDBM155115
Wt: 394.2
BDBM155118
Wt: 318.2
BDBM155127
Wt: 390.3
BDBM155131
Wt: 390.3
BDBM155132
Wt: 376.2
BDBM136723
Wt: 348.2
BDBM136772
Wt: 390.3
BDBM136828
Wt: 373.4
BDBM136853
Wt: 414.2
BDBM136894
Wt: 396.2
BDBM136903
Wt: 376.2
BDBM136726
Wt: 382.2
BDBM136778
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 155109,155096,155115,155118,155127,155131,155132,136723,136772,136828,136853,136894,136903,136726,136778   
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))
BDBM136723
PNG
(US8865911, 19 Isomer 1)
Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14-,17+,18?
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US Patent
n/an/a 53n/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))
BDBM155131
PNG
(US9000184, 5, isomer 1)
Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1
Show InChI InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18-,19?
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n/an/a 78n/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))
BDBM136772
PNG
(US8865911, 25)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1
Show InChI InChI=1S/C16H18BrN3O/c1-10-14(18)20-16(19-10)13-8-12(17)3-2-11(13)9-15(16)4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,18,20)
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n/an/a 7.53E+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))
BDBM136778
PNG
(US8865911, 27)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1
Show InChI InChI=1S/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23)
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n/an/a 1.76E+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))
BDBM136828
PNG
(US8865911, 64)
Show SMILES CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H24BrN3O/c1-3-16-17(21)23-19(22-16)15-10-13(20)5-4-12(15)11-18(19)8-6-14(24-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,23)/t14-,18-,19?
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n/an/a 401n/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))
BDBM136853
PNG
(US8865911, 90)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H27N3O/c1-16-22(25)27-24(26-16)21-14-18(17-6-4-3-5-7-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h3-9,14,20H,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/m0/s1
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n/an/a 13n/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))
BDBM136894
PNG
(US8865911, 124)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25)
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n/an/a 1.93E+4n/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))
BDBM136903
PNG
(US8865911, 128)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F
Show InChI InChI=1S/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24)
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n/an/a 2.61E+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))
BDBM155096
PNG
(US9000182, 5, isomer 1)
Show SMILES CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1
Show InChI InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17-/m1/s1
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n/an/a 270n/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 (3-Secretase (AA 1-AA 460) was clone...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155109
PNG
(US9000182, 16)
Show SMILES CC(C)O[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C20H26BrN3O/c1-12(2)25-16-6-8-19(9-7-16)11-14-4-5-15(21)10-17(14)20(19)23-13(3)18(22)24-20/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,22,24)/t16-,19-,20?
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n/an/a 3.70E+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 (3-Secretase (AA 1-AA 460) was clone...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155096
PNG
(US9000182, 5, isomer 1)
Show SMILES CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1
Show InChI InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17-/m1/s1
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n/an/a 96n/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 US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155115
PNG
(US9000183, 1)
Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C19H24BrN3O/c1-11-8-13-10-18(6-4-14(24-3)5-7-18)19(15(13)9-16(11)20)22-12(2)17(21)23-19/h8-9,14H,4-7,10H2,1-3H3,(H2,21,23)/t14-,18-,19?
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n/an/a 1.66E+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 US9000183 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TQD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155118
PNG
(US9000183, 4)
Show SMILES COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C18H21BrFN3O/c1-10-16(21)23-18(22-10)13-8-14(19)15(20)7-11(13)9-17(18)5-3-12(24-2)4-6-17/h7-8,12H,3-6,9H2,1-2H3,(H2,21,23)
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n/an/a 516n/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 US9000183 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TQD
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155118
PNG
(US9000183, 4)
Show SMILES COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C18H21BrFN3O/c1-10-16(21)23-18(22-10)13-8-14(19)15(20)7-11(13)9-17(18)5-3-12(24-2)4-6-17/h7-8,12H,3-6,9H2,1-2H3,(H2,21,23)
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n/an/a 176n/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 US9000183 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TQD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155127
PNG
(US9000184, 1)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CCC21CC1
Show InChI InChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-8-11(16)3-2-10(12)4-5-14(15)6-7-14/h2-3,8H,4-7H2,1H3,(H2,17,19)
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n/an/a 4.87E+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-secretase 1


(Homo sapiens (Human))
BDBM155131
PNG
(US9000184, 5, isomer 1)
Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1
Show InChI InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18-,19?
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n/an/a 411n/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))
BDBM155132
PNG
(US9000184, 5, isomer 2)
Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1
Show InChI InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18+,19?
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n/an/a 8.92E+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-secretase 1


(Homo sapiens (Human))
BDBM136726
PNG
(US8865911, 19 Isomer 4)
Show SMILES COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/m1/s1
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n/an/a 1.66E+4n/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