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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'matsuoka' and Initial = 'y'   
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))		BDBM15797
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-i...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |r|
Show InChI InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by cell-free FRET assay

Bioorg Med Chem Lett 21: 3992-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.007
BindingDB Entry DOI: 10.7270/Q22Z15W0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))		BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by cell-free FRET assay

Bioorg Med Chem Lett 21: 3992-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.007
BindingDB Entry DOI: 10.7270/Q22Z15W0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006369
PNG
((4R)-6'-chloro-3'-methyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2ccc(Cl)cc2[C@@]11NC(=O)NC1=O
Show InChI InChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)/t11-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006362
PNG
(6'-chloro-3',7'-dimethyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2cc(C)c(Cl)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C12H11ClN4O3/c1-5-3-8-6(4-7(5)13)12(17(2)11(20)14-8)9(18)15-10(19)16-12/h3-4H,1-2H3,(H,14,20)(H2,15,16,18,19)
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n/an/a 30n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006372
PNG
(6',8'-dichloro-3'-methyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2c(Cl)cc(Cl)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H8Cl2N4O3/c1-17-10(20)14-7-5(2-4(12)3-6(7)13)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19)
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n/an/a 37n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483944
PNG
(CHEMBL1797105)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@H](c2ccc(F)cc2)C(C)(C)O)nn1 |r|
Show InChI InChI=1S/C25H26FN5O2/c1-16-14-31(15-27-16)21-11-7-18(13-22(21)33-4)20-10-12-23(30-29-20)28-24(25(2,3)32)17-5-8-19(26)9-6-17/h5-15,24,32H,1-4H3,(H,28,30)/t24-/m1/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006358
PNG
(8'-fluoro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-...)
Show SMILES CN1C(=O)Nc2c(F)cccc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H9FN4O3/c1-16-10(19)13-7-5(3-2-4-6(7)12)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
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n/an/a 42n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006404
PNG
(6'-chloro-3'-methyl-8'-nitro-1'H,2H,5H-spiro[imida...)
Show SMILES CN1C(=O)Nc2c(cc(Cl)cc2C11NC(=O)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8ClN5O5/c1-16-10(20)13-7-5(2-4(12)3-6(7)17(21)22)11(16)8(18)14-9(19)15-11/h2-3H,1H3,(H,13,20)(H2,14,15,18,19)
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n/an/a 46n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483946
PNG
(CHEMBL1797111)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C(C)C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C26H28FN5O/c1-16(2)22-13-23(30-31-26(22)29-18(4)19-6-9-21(27)10-7-19)20-8-11-24(25(12-20)33-5)32-14-17(3)28-15-32/h6-16,18H,1-5H3,(H,29,31)/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483943
PNG
(CHEMBL1797102)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nn1 |r|
Show InChI InChI=1S/C24H22F3N5O/c1-15-13-32(14-28-15)21-10-6-18(12-22(21)33-3)20-9-11-23(31-30-20)29-16(2)17-4-7-19(8-5-17)24(25,26)27/h4-14,16H,1-3H3,(H,29,31)/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483955
PNG
(CHEMBL1797103)
Show SMILES CC[C@H](Nc1ccc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-4-20(17-5-8-19(25)9-6-17)27-24-12-10-21(28-29-24)18-7-11-22(23(13-18)31-3)30-14-16(2)26-15-30/h5-15,20H,4H2,1-3H3,(H,27,29)/t20-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483942
PNG
(CHEMBL1797100)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccccc2F)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-10-8-17(12-22(21)30-3)20-9-11-23(28-27-20)26-16(2)18-6-4-5-7-19(18)24/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006403
PNG
(6'-bromo-3'-methyl-1'H,2H,5H-spiro[imidazolidine-4...)
Show SMILES CN1C(=O)Nc2ccc(Br)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H9BrN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
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n/an/a 52n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006391
PNG
(6'-chloro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-...)
Show SMILES CN1C(=O)Nc2ccc(Cl)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
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n/an/a 56n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006375
PNG
(6'-chloro-7'-methoxy-3'-methyl-1'H,2H,5H-spiro[imi...)
Show SMILES COc1cc2NC(=O)N(C)C3(NC(=O)NC3=O)c2cc1Cl
Show InChI InChI=1S/C12H11ClN4O4/c1-17-11(20)14-7-4-8(21-2)6(13)3-5(7)12(17)9(18)15-10(19)16-12/h3-4H,1-2H3,(H,14,20)(H2,15,16,18,19)
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n/an/a 59n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483954
PNG
(CHEMBL1797110)
Show SMILES CCc1cc(nnc1N[C@@H](C)c1ccc(F)cc1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H26FN5O/c1-5-18-12-22(29-30-25(18)28-17(3)19-6-9-21(26)10-7-19)20-8-11-23(24(13-20)32-4)31-14-16(2)27-15-31/h6-15,17H,5H2,1-4H3,(H,28,30)/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483956
PNG
(CHEMBL1797099)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2cccc(F)c2)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-9-7-18(12-22(21)30-3)20-8-10-23(28-27-20)26-16(2)17-5-4-6-19(24)11-17/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483951
PNG
(CHEMBL1797108)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-15-11-21(28-29-24(15)27-17(3)18-5-8-20(25)9-6-18)19-7-10-22(23(12-19)31-4)30-13-16(2)26-14-30/h5-14,17H,1-4H3,(H,27,29)/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483951
PNG
(CHEMBL1797108)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-15-11-21(28-29-24(15)27-17(3)18-5-8-20(25)9-6-18)19-7-10-22(23(12-19)31-4)30-13-16(2)26-14-30/h5-14,17H,1-4H3,(H,27,29)/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid ...

Bioorg Med Chem Lett 21: 4832-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.042
BindingDB Entry DOI: 10.7270/Q25T3P9W
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483940
PNG
(CHEMBL1797097)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-10-6-18(12-22(21)30-3)20-9-11-23(28-27-20)26-16(2)17-4-7-19(24)8-5-17/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid ...

Bioorg Med Chem Lett 21: 4832-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.042
BindingDB Entry DOI: 10.7270/Q25T3P9W
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483940
PNG
(CHEMBL1797097)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-10-6-18(12-22(21)30-3)20-9-11-23(28-27-20)26-16(2)17-4-7-19(24)8-5-17/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006396
PNG
((4R)-6'-fluoro-3'-methyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2ccc(F)cc2[C@@]11NC(=O)NC1=O
Show InChI InChI=1S/C11H9FN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)/t11-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006392
PNG
(6',8'-dichloro-7'-methoxy-3'-methyl-1'H,2H,5H-spir...)
Show SMILES COc1c(Cl)cc2c(NC(=O)N(C)C22NC(=O)NC2=O)c1Cl
Show InChI InChI=1S/C12H10Cl2N4O4/c1-18-11(21)15-7-4(3-5(13)8(22-2)6(7)14)12(18)9(19)16-10(20)17-12/h3H,1-2H3,(H,15,21)(H2,16,17,19,20)
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n/an/a 72n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006354
PNG
(3'-methyl-6'-nitro-1'H,2H,5H-spiro[imidazolidine-4...)
Show SMILES CN1C(=O)Nc2ccc(cc2C11NC(=O)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C11H9N5O5/c1-15-10(19)12-7-3-2-5(16(20)21)4-6(7)11(15)8(17)13-9(18)14-11/h2-4H,1H3,(H,12,19)(H2,13,14,17,18)
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n/an/a 73n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006370
PNG
(6',7'-dichloro-3'-methyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2cc(Cl)c(Cl)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H8Cl2N4O3/c1-17-10(20)14-7-3-6(13)5(12)2-4(7)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19)
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n/an/a 74n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483942
PNG
(CHEMBL1797100)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccccc2F)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-10-8-17(12-22(21)30-3)20-9-11-23(28-27-20)26-16(2)18-6-4-5-7-19(18)24/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484070
PNG
(CHEMBL1806519)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc(N[C@@H](C)c2ccc(F)cc2)s1 |r|
Show InChI InChI=1S/C21H20FN5OS/c1-13-11-27(12-23-13)18-9-6-16(10-19(18)28-3)20-25-26-21(29-20)24-14(2)15-4-7-17(22)8-5-15/h4-12,14H,1-3H3,(H,24,26)/t14-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid ...

Bioorg Med Chem Lett 21: 4832-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.042
BindingDB Entry DOI: 10.7270/Q25T3P9W
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483941
PNG
(CHEMBL1797098)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccccc2)nn1 |r|
Show InChI InChI=1S/C23H23N5O/c1-16-14-28(15-24-16)21-11-9-19(13-22(21)29-3)20-10-12-23(27-26-20)25-17(2)18-7-5-4-6-8-18/h4-15,17H,1-3H3,(H,25,27)/t17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006389
PNG
(7'-chloro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-...)
Show SMILES CN1C(=O)Nc2cc(Cl)ccc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-4-5(12)2-3-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
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n/an/a 94n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483946
PNG
(CHEMBL1797111)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C(C)C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C26H28FN5O/c1-16(2)22-13-23(30-31-26(22)29-18(4)19-6-9-21(27)10-7-19)20-8-11-24(25(12-20)33-5)32-14-17(3)28-15-32/h6-16,18H,1-5H3,(H,29,31)/t18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006361
PNG
(6'-fluoro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-...)
Show SMILES CN1C(=O)Nc2ccc(F)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H9FN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)
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n/an/a 100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483947
PNG
(CHEMBL1797112)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(c(N[C@@H](C)c2ccc(F)cc2)nn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F4N5O/c1-14-12-33(13-29-14)21-9-6-17(10-22(21)34-3)20-11-19(24(26,27)28)23(32-31-20)30-15(2)16-4-7-18(25)8-5-16/h4-13,15H,1-3H3,(H,30,32)/t15-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483939
PNG
(CHEMBL1797095)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(NC(C)(C)c2ccc(F)cc2)nn1
Show InChI InChI=1S/C24H24FN5O/c1-16-14-30(15-26-16)21-11-5-17(13-22(21)31-4)20-10-12-23(29-28-20)27-24(2,3)18-6-8-19(25)9-7-18/h5-15H,1-4H3,(H,27,29)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006353
PNG
(7'-chloro-3'-methyl-6'-nitro-1'H,2H,5H-spiro[imida...)
Show SMILES CN1C(=O)Nc2cc(Cl)c(cc2C11NC(=O)NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8ClN5O5/c1-16-10(20)13-6-3-5(12)7(17(21)22)2-4(6)11(16)8(18)14-9(19)15-11/h2-3H,1H3,(H,13,20)(H2,14,15,18,19)
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n/an/a 120n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483956
PNG
(CHEMBL1797099)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2cccc(F)c2)nn1 |r|
Show InChI InChI=1S/C23H22FN5O/c1-15-13-29(14-25-15)21-9-7-18(12-22(21)30-3)20-8-10-23(28-27-20)26-16(2)17-5-4-6-19(24)11-17/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483955
PNG
(CHEMBL1797103)
Show SMILES CC[C@H](Nc1ccc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-4-20(17-5-8-19(25)9-6-17)27-24-12-10-21(28-29-24)18-7-11-22(23(13-18)31-3)30-14-16(2)26-15-30/h5-15,20H,4H2,1-3H3,(H,27,29)/t20-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483957
PNG
(CHEMBL1797109)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C#N)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-27-15)22-9-6-18(11-23(22)32-3)21-10-19(12-26)24(30-29-21)28-16(2)17-4-7-20(25)8-5-17/h4-11,13-14,16H,1-3H3,(H,28,30)/t16-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484076
PNG
(CHEMBL1808601)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccc(F)cc2)nc1 |r|
Show InChI InChI=1S/C24H23FN4O/c1-16-14-29(15-27-16)22-10-6-19(12-23(22)30-3)20-7-11-24(26-13-20)28-17(2)18-4-8-21(25)9-5-18/h4-15,17H,1-3H3,(H,26,28)/t17-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid ...

Bioorg Med Chem Lett 21: 4832-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.042
BindingDB Entry DOI: 10.7270/Q25T3P9W
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483943
PNG
(CHEMBL1797102)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nn1 |r|
Show InChI InChI=1S/C24H22F3N5O/c1-15-13-32(14-28-15)21-10-6-18(12-22(21)33-3)20-9-11-23(31-30-20)29-16(2)17-4-7-19(8-5-17)24(25,26)27/h4-14,16H,1-3H3,(H,29,31)/t16-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006377
PNG
(8'-amino-6'-chloro-3'-methyl-1'H,2H,5H-spiro[imida...)
Show SMILES CN1C(=O)Nc2c(N)cc(Cl)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H10ClN5O3/c1-17-10(20)14-7-5(2-4(12)3-6(7)13)11(17)8(18)15-9(19)16-11/h2-3H,13H2,1H3,(H,14,20)(H2,15,16,18,19)
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n/an/a 130n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50006357
PNG
(6',7',8'-trifluoro-3'-methyl-1'H,2H,5H-spiro[imida...)
Show SMILES CN1C(=O)Nc2c(F)c(F)c(F)cc2C11NC(=O)NC1=O
Show InChI InChI=1S/C11H7F3N4O3/c1-18-10(21)15-7-3(2-4(12)5(13)6(7)14)11(18)8(19)16-9(20)17-11/h2H,1H3,(H,15,21)(H2,16,17,19,20)
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n/an/a 140n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens

J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483953
PNG
(CHEMBL1797104)
Show SMILES COC[C@H](Nc1ccc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N5O2/c1-17-14-29(16-25-17)22-11-9-19(13-23(22)31-3)20-10-12-24(28-27-20)26-21(15-30-2)18-7-5-4-6-8-18/h4-14,16,21H,15H2,1-3H3,(H,26,28)/t21-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483944
PNG
(CHEMBL1797105)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@H](c2ccc(F)cc2)C(C)(C)O)nn1 |r|
Show InChI InChI=1S/C25H26FN5O2/c1-16-14-31(15-27-16)21-11-7-18(13-22(21)33-4)20-10-12-23(30-29-20)28-24(25(2,3)32)17-5-8-19(26)9-6-17/h5-15,24,32H,1-4H3,(H,28,30)/t24-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483941
PNG
(CHEMBL1797098)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1ccc(N[C@@H](C)c2ccccc2)nn1 |r|
Show InChI InChI=1S/C23H23N5O/c1-16-14-28(15-24-16)21-11-9-19(13-22(21)29-3)20-10-12-23(27-26-20)25-17(2)18-7-5-4-6-8-18/h4-15,17H,1-3H3,(H,25,27)/t17-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483949
PNG
(CHEMBL1797101)
Show SMILES COc1ccc(cc1)[C@H](C)Nc1ccc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C24H25N5O2/c1-16-14-29(15-25-16)22-11-7-19(13-23(22)31-4)21-10-12-24(28-27-21)26-17(2)18-5-8-20(30-3)9-6-18/h5-15,17H,1-4H3,(H,26,28)/t17-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483954
PNG
(CHEMBL1797110)
Show SMILES CCc1cc(nnc1N[C@@H](C)c1ccc(F)cc1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H26FN5O/c1-5-18-12-22(29-30-25(18)28-17(3)19-6-9-21(26)10-7-19)20-8-11-23(24(13-20)32-4)31-14-16(2)27-15-31/h6-15,17H,5H2,1-4H3,(H,28,30)/t17-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483949
PNG
(CHEMBL1797101)
Show SMILES COc1ccc(cc1)[C@H](C)Nc1ccc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C24H25N5O2/c1-16-14-29(15-25-16)22-11-7-19(13-23(22)31-4)21-10-12-24(28-27-21)26-17(2)18-5-8-20(30-3)9-6-18/h5-15,17H,1-4H3,(H,26,28)/t17-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483951
PNG
(CHEMBL1797108)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-15-11-21(28-29-24(15)27-17(3)18-5-8-20(25)9-6-18)19-7-10-22(23(12-19)31-4)30-13-16(2)26-14-30/h5-14,17H,1-4H3,(H,27,29)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483951
PNG
(CHEMBL1797108)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H24FN5O/c1-15-11-21(28-29-24(15)27-17(3)18-5-8-20(25)9-6-18)19-7-10-22(23(12-19)31-4)30-13-16(2)26-14-30/h5-14,17H,1-4H3,(H,27,29)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid ...

Bioorg Med Chem Lett 21: 4832-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.042
BindingDB Entry DOI: 10.7270/Q25T3P9W
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483945
PNG
(CHEMBL1797107)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc(N[C@@H](C)c2ccc(F)cc2)cc1C |r|
Show InChI InChI=1S/C24H24FN5O/c1-15-11-23(27-17(3)18-5-8-20(25)9-6-18)28-29-24(15)19-7-10-21(22(12-19)31-4)30-13-16(2)26-14-30/h5-14,17H,1-4H3,(H,27,28)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation ...

Bioorg Med Chem Lett 21: 4016-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.143
BindingDB Entry DOI: 10.7270/Q2VH5RPH
More data for this
Ligand-Target Pair
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