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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'chadwick' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
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 1


(Homo sapiens (Human))
BDBM16047
PNG
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 19: 6770-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.103
BindingDB Entry DOI: 10.7270/Q2VT1T2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50311847
PNG
(2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxo...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H19N5O6/c1-14-6-8-15(9-7-14)25-21(31)13-28-19-5-3-2-4-17(19)22(24(28)33)26-27-23(32)18-12-16(29(34)35)10-11-20(18)30/h2-12,30H,13H2,1H3,(H,25,31)(H,27,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 at 100 uM


Bioorg Med Chem Lett 19: 6770-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.103
BindingDB Entry DOI: 10.7270/Q2VT1T2V
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50311848
PNG
(CHEMBL1080086 | N-cyclohexyl-2-(3-(2-(2-hydroxy-5-...)
Show SMILES Oc1ccc(cc1C(=O)NN=C1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O6/c29-19-11-10-15(28(33)34)12-17(19)22(31)26-25-21-16-8-4-5-9-18(16)27(23(21)32)13-20(30)24-14-6-2-1-3-7-14/h4-5,8-12,14,29H,1-3,6-7,13H2,(H,24,30)(H,26,31)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 at 100 uM


Bioorg Med Chem Lett 19: 6770-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.103
BindingDB Entry DOI: 10.7270/Q2VT1T2V
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427058
PNG
(CHEMBL2322538)
Show SMILES NCc1ccc(CNC(=O)C(Cc2ccccc2)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H28N2O/c30-20-23-11-13-24(14-12-23)21-31-29(32)28(19-22-7-3-1-4-8-22)27-17-15-26(16-18-27)25-9-5-2-6-10-25/h1-18,28H,19-21,30H2,(H,31,32)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427058
PNG
(CHEMBL2322538)
Show SMILES NCc1ccc(CNC(=O)C(Cc2ccccc2)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H28N2O/c30-20-23-11-13-24(14-12-23)21-31-29(32)28(19-22-7-3-1-4-8-22)27-17-15-26(16-18-27)25-9-5-2-6-10-25/h1-18,28H,19-21,30H2,(H,31,32)
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427056
PNG
(CHEMBL2322539)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H20F6N2O/c25-23(26,27)20-10-19(11-21(12-20)24(28,29)30)18-7-5-15(6-8-18)9-22(33)32-14-17-3-1-16(13-31)2-4-17/h1-8,10-12H,9,13-14,31H2,(H,32,33)
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n/an/a 3.32E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427057
PNG
(CHEMBL2322537)
Show SMILES CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-18(2)24(25(28)27-17-20-10-8-19(16-26)9-11-20)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,24H,16-17,26H2,1-2H3,(H,27,28)
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n/an/a 3.35E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427053
PNG
(CHEMBL2322541)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O/c24-23(25,26)21-3-1-2-20(13-21)19-10-8-16(9-11-19)12-22(29)28-15-18-6-4-17(14-27)5-7-18/h1-11,13H,12,14-15,27H2,(H,28,29)
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n/an/a 5.89E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427045
PNG
(CHEMBL2322830)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
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n/an/a 6.33E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427056
PNG
(CHEMBL2322539)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H20F6N2O/c25-23(26,27)20-10-19(11-21(12-20)24(28,29)30)18-7-5-15(6-8-18)9-22(33)32-14-17-3-1-16(13-31)2-4-17/h1-8,10-12H,9,13-14,31H2,(H,32,33)
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n/an/a 6.39E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 7.71E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 8.57E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427051
PNG
(CHEMBL2322534)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(c(O)c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-14-16-6-8-17(9-7-16)15-24-22(26)13-18-10-11-20(21(25)12-18)19-4-2-1-3-5-19/h1-12,25H,13-15,23H2,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427048
PNG
(CHEMBL2322831)
Show SMILES CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H30N2O/c1-3-28(4-2)20-23-12-10-22(11-13-23)19-27-26(29)18-21-14-16-25(17-15-21)24-8-6-5-7-9-24/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427047
PNG
(CHEMBL2322832)
Show SMILES CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O/c1-4-30(5-2,6-3)22-25-14-12-24(13-15-25)21-29-28(31)20-23-16-18-27(19-17-23)26-10-8-7-9-11-26/h7-19H,4-6,20-22H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427049
PNG
(CHEMBL2322829)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H28N2O/c29-26(18-21-12-14-25(15-13-21)24-6-2-1-3-7-24)27-19-22-8-10-23(11-9-22)20-28-16-4-5-17-28/h1-3,6-15H,4-5,16-20H2,(H,27,29)
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University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427052
PNG
(CHEMBL2322533)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2O)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-14-16-6-8-17(9-7-16)15-24-22(26)13-20-11-10-19(12-21(20)25)18-4-2-1-3-5-18/h1-12,25H,13-15,23H2,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427050
PNG
(CHEMBL2322542)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-14-17-1-3-18(4-2-17)15-24-22(26)13-16-5-7-19(8-6-16)20-9-11-21(25)12-10-20/h1-12,25H,13-15,23H2,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427057
PNG
(CHEMBL2322537)
Show SMILES CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-18(2)24(25(28)27-17-20-10-8-19(16-26)9-11-20)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,24H,16-17,26H2,1-2H3,(H,27,28)
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427054
PNG
(CHEMBL2322540)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C22H17F5N2O/c23-18-17(19(24)21(26)22(27)20(18)25)15-7-5-12(6-8-15)9-16(30)29-11-14-3-1-13(10-28)2-4-14/h1-8H,9-11,28H2,(H,29,30)
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 1.94E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
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n/an/a 2.07E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427054
PNG
(CHEMBL2322540)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C22H17F5N2O/c23-18-17(19(24)21(26)22(27)20(18)25)15-7-5-12(6-8-15)9-16(30)29-11-14-3-1-13(10-28)2-4-14/h1-8H,9-11,28H2,(H,29,30)
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n/an/a 2.46E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427053
PNG
(CHEMBL2322541)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O/c24-23(25,26)21-3-1-2-20(13-21)19-10-8-16(9-11-19)12-22(29)28-15-18-6-4-17(14-27)5-7-18/h1-11,13H,12,14-15,27H2,(H,28,29)
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Article
PubMed
n/an/a 3.19E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427046
PNG
(CHEMBL2322833)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O/c23-15-18-6-8-19(9-7-18)16-24-22(25)14-17-10-12-21(13-11-17)20-4-2-1-3-5-20/h1-13H,14-16,23H2,(H,24,25)
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n/an/a 3.23E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427045
PNG
(CHEMBL2322830)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427046
PNG
(CHEMBL2322833)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O/c23-15-18-6-8-19(9-7-18)16-24-22(25)14-17-10-12-21(13-11-17)20-4-2-1-3-5-20/h1-13H,14-16,23H2,(H,24,25)
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UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair