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8 molecules are shown

Wt: 304.3
BDBM15780
Wt: 199.2
BDBM15781
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Wt: 276.3
BDBM15782
Wt: 306.3
BDBM15783
Wt: 334.4
BDBM15784
Wt: 314.3
BDBM15785
Wt: 420.5
BDBM15786
Wt: 421.4
BDBM15787

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 15780,15781,15782,15783,15784,15785,15786,15787   
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))
BDBM15780
PNG
(6-Substituted 2-Aminopyridine 4 | 6-{2-[3-(3-metho...)
Show SMILES COc1cccc(c1)-c1cccc(CCc2cccc(N)n2)c1
Show InChI InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)
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n/an/a 2.50E+4n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15781
PNG
(3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...)
Show SMILES Nc1ncccc1NCc1ccccc1
Show InChI InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)
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n/an/a 3.10E+5n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15782
PNG
(3-N-{[3-(pyridin-3-yl)phenyl]methyl}pyridine-2,3-d...)
Show SMILES Nc1ncccc1NCc1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)
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n/an/a 1.00E+5n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15783
PNG
(3-N-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}pyrid...)
Show SMILES COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
Show InChI InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)
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n/an/a 4.00E+4n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15781
PNG
(3-N-benzylpyridine-2,3-diamine | 3-Substituted 2-A...)
Show SMILES Nc1ncccc1NCc1ccccc1
Show InChI InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)
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n/an/a 3.10E+5n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1116-23 (2007)


Article DOI: 10.1021/jm0611962
BindingDB Entry DOI: 10.7270/Q2Q23XHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15785
PNG
(3-N-{[3-(1H-indol-6-yl)phenyl]methyl}pyridine-2,3-...)
Show SMILES Nc1ncccc1NCc1cccc(c1)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
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n/an/a 9.10E+3n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15786
PNG
(3-N-{[2-(benzyloxy)-5-(1H-indol-6-yl)phenyl]methyl...)
Show SMILES Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30)
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n/an/a 690n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15787
PNG
(3-N-{[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)phe...)
Show SMILES Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)
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n/an/a 4.20E+3n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM15784
PNG
(3-N-{[3-(5-propoxypyridin-3-yl)phenyl]methyl}pyrid...)
Show SMILES CCCOc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
Show InChI InChI=1S/C20H22N4O/c1-2-9-25-18-11-17(13-22-14-18)16-6-3-5-15(10-16)12-24-19-7-4-8-23-20(19)21/h3-8,10-11,13-14,24H,2,9,12H2,1H3,(H2,21,23)
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n/an/a 2.40E+4n/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1124-32 (2007)


Article DOI: 10.1021/jm061197u
BindingDB Entry DOI: 10.7270/Q2TT4P6T
More data for this
Ligand-Target Pair