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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2'   
Target
(Institution)
LigandTarget
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 2


(Rattus norvegicus)
BDBM50428341
PNG
(CHEMBL2331713)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50012639
PNG
(CHEMBL3261053)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1
Show InChI InChI=1S/C19H17N5OS/c20-10-12-4-5-16(22-11-12)17(25)23-15-3-1-2-13(8-15)19-9-14(19)6-7-26-18(21)24-19/h1-5,8,11,14H,6-7,9H2,(H2,21,24)(H,23,25)/t14-,19-/m1/s1
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428340
PNG
(CHEMBL2331712)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428342
PNG
(CHEMBL2331710)
Show SMILES NC1=NC2(CC2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428340
PNG
(CHEMBL2331712)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428343
PNG
(CHEMBL2331708)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)/t12-,18-/m1/s1
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428343
PNG
(CHEMBL2331708)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)/t12-,18-/m1/s1
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428341
PNG
(CHEMBL2331713)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50012643
PNG
(CHEMBL3261062)
Show SMILES C[C@@]1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClF3N4O2/c1-17(18(21,22)9-28-8-15(23)26-17)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428341
PNG
(CHEMBL2331713)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428339
PNG
(CHEMBL2331714)
Show SMILES NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50012642
PNG
(CHEMBL2403778)
Show SMILES C[C@]1(COCCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H18ClFN4O2/c1-18(10-26-7-6-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50428344
PNG
(CHEMBL2331711)
Show SMILES NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1
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TBA

Assay Description
Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM238983
PNG
(US9403846, 1)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CCCO1)c1ccc(F)cc1F
Show InChI InChI=1S/C17H20F2N2O2S/c18-11-3-4-12(13(19)7-11)17-9-23-15(14-2-1-5-22-14)6-10(17)8-24-16(20)21-17/h3-4,7,10,14-15H,1-2,5-6,8-9H2,(H2,20,21)/t10-,14?,15+,17-/m0/s1
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US Patent
n/an/a 1.29E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cy...


US Patent US9403846 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM238984
PNG
(US9403846, 2)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1
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n/an/a 2.26E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cy...


US Patent US9403846 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM238986
PNG
(US9403846, 3)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)C1CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C17H20F2N2OS/c1-9-13-7-15(10-2-3-10)22-8-17(13,21-16(20)23-9)12-5-4-11(18)6-14(12)19/h4-6,9-10,13,15H,2-3,7-8H2,1H3,(H2,20,21)/t9-,13+,15-,17-/m1/s1
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n/an/a 2.49E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cy...


US Patent US9403846 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50012641
PNG
(CHEMBL3261061)
Show SMILES C[C@]1(C[C@H](OCC(N)=N1)c1ccccc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C24H22ClFN4O2/c1-24(12-21(32-14-22(27)30-24)15-5-3-2-4-6-15)18-11-17(8-9-19(18)26)29-23(31)20-10-7-16(25)13-28-20/h2-11,13,21H,12,14H2,1H3,(H2,27,30)(H,29,31)/t21-,24-/m0/s1
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n/an/a 5.02E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Rattus norvegicus)
BDBM50012640
PNG
(CHEMBL2403779)
Show SMILES NC1=N[C@]2(C[C@H]2COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClFN4O2/c19-11-1-4-15(22-7-11)17(25)23-12-2-3-14(20)13(5-12)18-6-10(18)8-26-9-16(21)24-18/h1-5,7,10H,6,8-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ...


Bioorg Med Chem Lett 24: 2033-45 (2014)

More data for this
Ligand-Target Pair