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PubMed code 15050627

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
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
Presenilin-1


(Homo sapiens (Human))		BDBM50223758
PNG
(CHEMBL58925)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C28H45N3O4/c1-5-6-17-31(4)28(35)24(19-21-13-9-7-10-14-21)30-26(33)23(18-20(2)3)29-27(34)25(32)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-25,32H,5-7,9-10,13-14,17-19H2,1-4H3,(H,29,34)(H,30,33)/t23-,24-,25-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50125393
PNG
(CHEMBL57014)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C(O)(O)c1ccccc1
Show InChI InChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50132321
PNG
(CHEMBL298738)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C20H22N5O5P/c1-30-14-6-2-4-12(8-14)18-17-19(21)22-11-23-20(17)25(24-18)13-5-3-7-15(9-13)31(28,29)10-16(26)27/h2,4-5,8-9,11,14H,3,6-7,10H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)
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n/an/a 4.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50223762
PNG
(CHEMBL417588)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H43F2N3O3/c1-5-6-12-33(4)28(36)25(16-20-10-8-7-9-11-20)32-27(35)24(13-19(2)3)31-26(34)17-21-14-22(29)18-23(30)15-21/h14-15,18-20,24-25H,5-13,16-17H2,1-4H3,(H,31,34)(H,32,35)/t24-,25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50125395
PNG
(CHEMBL57259)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)CC(C)C
Show InChI InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218997
PNG
(CHEMBL57824)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H45N3O3/c1-5-6-17-31(4)28(34)25(19-22-13-9-7-10-14-22)30-27(33)24(18-21(2)3)29-26(32)20-23-15-11-8-12-16-23/h8,11-12,15-16,21-22,24-25H,5-7,9-10,13-14,17-20H2,1-4H3,(H,29,32)(H,30,33)/t24-,25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50149196
PNG
(CHEMBL56213)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C25H31N3O5S/c1-14(2)12-20(24(31)27-18-10-11-32-25(18)33-15(3)29)28-23(30)16-8-9-22-19(13-16)26-17-6-4-5-7-21(17)34-22/h4-9,13-14,17-18,20-21,25-26H,10-12H2,1-3H3,(H,27,31)(H,28,30)/t17?,18-,20-,21?,25?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218978
PNG
(CHEMBL57146)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C25H37F2N3O3/c1-4-5-11-30(3)25(33)22(14-18-9-7-6-8-10-18)29-24(32)17(2)28-23(31)15-19-12-20(26)16-21(27)13-19/h12-13,16-18,22H,4-11,14-15H2,1-3H3,(H,28,31)(H,29,32)/t17-,22-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218987
PNG
(CHEMBL56327)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H44FN3O3/c1-5-6-16-32(4)28(35)25(18-21-10-8-7-9-11-21)31-27(34)24(17-20(2)3)30-26(33)19-22-12-14-23(29)15-13-22/h12-15,20-21,24-25H,5-11,16-19H2,1-4H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50149198
PNG
(CHEMBL57525)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C23H29N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,15-16,18-19,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t15?,16-,18-,19?,23?/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218995
PNG
(CHEMBL431722)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H43N3O3/c1-21(2)18-24(29-26(32)20-23-14-8-4-9-15-23)27(33)30-25(19-22-12-6-3-7-13-22)28(34)31-16-10-5-11-17-31/h4,8-9,14-15,21-22,24-25H,3,5-7,10-13,16-20H2,1-2H3,(H,29,32)(H,30,33)/t24-,25-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50138289
PNG
(CHEMBL293306)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,30,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t30?,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218994
PNG
(CHEMBL57814)
Show SMILES CCCCN(CC)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C29H47N3O3/c1-5-7-18-32(6-2)29(35)26(20-23-14-10-8-11-15-23)31-28(34)25(19-22(3)4)30-27(33)21-24-16-12-9-13-17-24/h9,12-13,16-17,22-23,25-26H,5-8,10-11,14-15,18-21H2,1-4H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218977
PNG
(CHEMBL57831)
Show SMILES [H][C@@](O)(C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CCCC)c1ccccc1
Show InChI InChI=1S/C29H39N3O4/c1-5-6-16-31(4)29(36)25-18-22-14-10-11-15-23(22)19-32(25)28(35)24(17-20(2)3)30-27(34)26(33)21-12-8-7-9-13-21/h7-15,20,24-26,33H,5-6,16-19H2,1-4H3,(H,30,34)/t24-,25-,26-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50223757
PNG
(CHEMBL291976)
Show SMILES [H][C@@](O)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1([H])c2ccccc2C[C@@]1([H])O)c1ccccc1
Show InChI InChI=1S/C23H28N2O4/c1-14(2)12-18(24-23(29)21(27)15-8-4-3-5-9-15)22(28)25-20-17-11-7-6-10-16(17)13-19(20)26/h3-11,14,18-21,26-27H,12-13H2,1-2H3,(H,24,29)(H,25,28)/t18-,19+,20-,21-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50132336
PNG
(CHEMBL407129)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C
Show InChI InChI=1S/C26H28N6O7P2/c1-15-5-8-17(9-6-15)23-22-24(27)29-14-30-25(22)32(31-23)19-4-2-3-18(12-19)26(33)28-13-16-7-10-20(40(34,35)36)21(11-16)41(37,38)39/h4-5,7-12,14-15H,2-3,6,13H2,1H3,(H,28,33)(H2,27,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 102n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218996
PNG
(CHEMBL57603)
Show SMILES CON(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C25H39N3O4/c1-18(2)15-21(26-23(29)17-20-13-9-6-10-14-20)24(30)27-22(25(31)28(3)32-4)16-19-11-7-5-8-12-19/h6,9-10,13-14,18-19,21-22H,5,7-8,11-12,15-17H2,1-4H3,(H,26,29)(H,27,30)/t21-,22-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218986
PNG
(CHEMBL56609)
Show SMILES CC(C)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H43N3O3/c1-19(2)15-23(29-25(31)17-22-13-9-6-10-14-22)27(33)30-24(26(32)28-18-20(3)4)16-21-11-7-5-8-12-21/h6,9-10,13-14,19-21,23-24H,5,7-8,11-12,15-18H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/t23-,24-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218982
PNG
(CHEMBL299703)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C29H47N3O3/c1-5-6-19-32(4)29(35)26(21-24-15-11-8-12-16-24)31-28(34)25(20-22(2)3)30-27(33)18-17-23-13-9-7-10-14-23/h7,9-10,13-14,22,24-26H,5-6,8,11-12,15-21H2,1-4H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50131338
PNG
(CHEMBL56082)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C23H37N3O4/c1-5-6-10-18(15-25(30)16-27)21(28)24-20(23(2,3)4)22(29)26-14-9-12-17-11-7-8-13-19(17)26/h7-8,11,13,16-20,30H,5-6,9-10,12,14-15H2,1-4H3,(H,24,28)/t17?,18-,19?,20-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50132320
PNG
(CHEMBL299483)
Show SMILES CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C19H20N5O5P/c20-18-16-17(11-3-1-5-13(25)7-11)23-24(19(16)22-10-21-18)12-4-2-6-14(8-12)30(28,29)9-15(26)27/h1,3-4,7-8,10,13,25H,2,5-6,9H2,(H,26,27)(H,28,29)(H2,20,21,22)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218988
PNG
(CHEMBL57253)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1F
Show InChI InChI=1S/C28H44FN3O3/c1-5-6-16-32(4)28(35)25(18-21-12-8-7-9-13-21)31-27(34)24(17-20(2)3)30-26(33)19-22-14-10-11-15-23(22)29/h10-11,14-15,20-21,24-25H,5-9,12-13,16-19H2,1-4H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50132340
PNG
(CHEMBL299047)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C23H30N6O6P2/c1-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)29(28-20)18-5-2-4-17(12-18)23(30)25-10-3-11-36(31,32)14-37(33,34)35/h5-6,8-9,12-13,15H,2-4,7,10-11,14H2,1H3,(H,25,30)(H,31,32)(H2,24,26,27)(H2,33,34,35)
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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218989
PNG
(CHEMBL56392)
Show SMILES CC(C)CCC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H44N2O3/c1-20(2)15-16-26(31)24(18-22-11-7-5-8-12-22)30-28(33)25(17-21(3)4)29-27(32)19-23-13-9-6-10-14-23/h6,9-10,13-14,20-22,24-25H,5,7-8,11-12,15-19H2,1-4H3,(H,29,32)(H,30,33)/t24-,25-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50219000
PNG
(CHEMBL291681)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H43F6N3O3/c1-5-6-12-39(4)28(42)25(16-20-10-8-7-9-11-20)38-27(41)24(13-19(2)3)37-26(40)17-21-14-22(29(31,32)33)18-23(15-21)30(34,35)36/h14-15,18-20,24-25H,5-13,16-17H2,1-4H3,(H,37,40)(H,38,41)/t24-,25-/m0/s1
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n/an/a 408n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218992
PNG
(CHEMBL57527)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc(C)c1
Show InChI InChI=1S/C29H47N3O3/c1-6-7-16-32(5)29(35)26(19-23-13-9-8-10-14-23)31-28(34)25(17-21(2)3)30-27(33)20-24-15-11-12-22(4)18-24/h11-12,15,18,21,23,25-26H,6-10,13-14,16-17,19-20H2,1-5H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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n/an/a 454n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218981
PNG
(CHEMBL56177)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc(OC)c1
Show InChI InChI=1S/C29H47N3O4/c1-6-7-16-32(4)29(35)26(19-22-12-9-8-10-13-22)31-28(34)25(17-21(2)3)30-27(33)20-23-14-11-15-24(18-23)36-5/h11,14-15,18,21-22,25-26H,6-10,12-13,16-17,19-20H2,1-5H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50100963
PNG
(CHEMBL57658)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C8H8ClN5/c9-5-2-1-3-6(4-5)11-8-12-7(10)13-14-8/h1-4H,(H4,10,11,12,13,14)
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218983
PNG
(CHEMBL293945)
Show SMILES COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C24H36N2O4/c1-17(2)14-20(25-22(27)16-19-12-8-5-9-13-19)23(28)26-21(24(29)30-3)15-18-10-6-4-7-11-18/h5,8-9,12-13,17-18,20-21H,4,6-7,10-11,14-16H2,1-3H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218999
PNG
(CHEMBL417762)
Show SMILES CCOC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C25H38N2O4/c1-4-31-25(30)22(16-19-11-7-5-8-12-19)27-24(29)21(15-18(2)3)26-23(28)17-20-13-9-6-10-14-20/h6,9-10,13-14,18-19,21-22H,4-5,7-8,11-12,15-17H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218984
PNG
(CHEMBL57413)
Show SMILES CCCCN(C)C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H45N3O3/c1-5-6-17-31(4)28(34)25(19-22-13-9-7-10-14-22)30-27(33)24(18-21(2)3)29-26(32)20-23-15-11-8-12-16-23/h8,11-12,15-16,21-22,24-25H,5-7,9-10,13-14,17-20H2,1-4H3,(H,29,32)(H,30,33)/t24-,25+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50125396
PNG
(CHEMBL291964)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(N)cc1
Show InChI InChI=1S/C10H9ClN4/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(12)15-9/h1-6H,(H3,12,13,14,15)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50118678
PNG
(CHEMBL57415)
Show SMILES CC(C)CC[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C13H14ClN3/c14-11-3-1-10-2-4-13(16-12(10)9-11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50118680
PNG
(CHEMBL61039)
Show SMILES CCCCN(C)C[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H18FN3/c1-19-7-9-20(10-8-19)17-12-13-11-14(18)4-5-15(13)21-6-2-3-16(17)21/h2-6,11-12H,7-10H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218979
PNG
(CHEMBL291456)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](OC)c1ccccc1
Show InChI InChI=1S/C29H47N3O4/c1-6-7-18-32(4)29(35)25(20-22-14-10-8-11-15-22)31-27(33)24(19-21(2)3)30-28(34)26(36-5)23-16-12-9-13-17-23/h9,12-13,16-17,21-22,24-26H,6-8,10-11,14-15,18-20H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50132163
PNG
(CHEMBL294240)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218985
PNG
(CHEMBL55936)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H43F2N3O3/c1-5-6-12-33(4)28(36)25(16-20-10-8-7-9-11-20)32-27(35)24(13-19(2)3)31-26(34)17-21-14-22(29)18-23(30)15-21/h14-15,18-20,24-25H,5-13,16-17H2,1-4H3,(H,31,34)(H,32,35)/t24-,25+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production; Inactive

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50148490
PNG
(CHEMBL299929)
Show SMILES CCCCN(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C25H29N3O6S/c1-25(18-10-12-20(34-2)13-11-18,24(31)27-19-7-5-4-6-8-19)26-16-23(30)17-9-14-22(29)21(15-17)28-35(3,32)33/h4-15,23,26,28-30H,16H2,1-3H3,(H,27,31)/t23-,25-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production; Inactive

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50148508
PNG
(CHEMBL57849)
Show SMILES [H][C@@](O)(C(=O)N[C@H](CN[C@@H](CC1CCCCC1)C(=O)N(C)CCCC)CC(C)C)c1ccccc1
Show InChI InChI=1S/C26H29N3O8S/c1-26(17-5-8-19(35-2)9-6-17,25(32)28-18-7-11-23-24(13-18)37-15-36-23)27-14-22(31)16-4-10-21(30)20(12-16)29-38(3,33)34/h4-13,22,27,29-31H,14-15H2,1-3H3,(H,28,32)/t22-,26-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50142498
PNG
(CHEMBL418273)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC)c1ccccc1
Show InChI InChI=1S/C14H20N6O6S/c15-6(14(23)24)1-2-27(25)3-7-9(21)10(22)13(26-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13-,27?/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50217048
PNG
(CHEMBL60923)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H39F2N3O3/c1-3-4-12-31(2)27(35)23(16-19-9-6-5-7-10-19)30-26(34)24-11-8-13-32(24)25(33)17-20-14-21(28)18-22(29)15-20/h14-15,18-19,23-24H,3-13,16-17H2,1-2H3,(H,30,34)/t23-,24-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production; Inactive

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218998
PNG
(CHEMBL56665)
Show SMILES [H][C@@](O)(C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)CCCC)c1ccccc1
Show InChI InChI=1S/C28H43N3O4/c1-3-4-18-30(2)27(34)23(20-21-13-7-5-8-14-21)29-26(33)24-17-11-12-19-31(24)28(35)25(32)22-15-9-6-10-16-22/h6,9-10,15-16,21,23-25,32H,3-5,7-8,11-14,17-20H2,1-2H3,(H,29,33)/t23-,24-,25-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218993
PNG
(CHEMBL418107)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(O)c1ccccc1
Show InChI InChI=1S/C29H47N3O4/c1-6-7-18-32(5)27(34)25(20-22-14-10-8-11-15-22)30-26(33)24(19-21(2)3)31-28(35)29(4,36)23-16-12-9-13-17-23/h9,12-13,16-17,21-22,24-25,36H,6-8,10-11,14-15,18-20H2,1-5H3,(H,30,33)(H,31,35)/t24-,25-,29+/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50149197
PNG
(CHEMBL292225)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@](C)(OC)c1ccccc1
Show InChI InChI=1S/C23H29N3O4S/c1-13(2)12-17(22(28)25-16-10-11-30-23(16)29)26-21(27)14-6-5-9-19-20(14)24-15-7-3-4-8-18(15)31-19/h3-9,13,15-18,23-24,29H,10-12H2,1-2H3,(H,25,28)(H,26,27)/t15?,16-,17-,18?,23?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50125397
PNG
(CHEMBL59484)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc(N)c1
Show InChI InChI=1S/C9H8ClN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50118679
PNG
(CHEMBL56583)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(OC)c1ccccc1
Show InChI InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218980
PNG
(CHEMBL417598)
Show SMILES CCCCN(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C23H33F2N3O5/c1-5-6-7-28(4)23(33)19(13-21(30)31)27-22(32)18(8-14(2)3)26-20(29)11-15-9-16(24)12-17(25)10-15/h9-10,12,14,18-19H,5-8,11,13H2,1-4H3,(H,26,29)(H,27,32)(H,30,31)/t18-,19-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production; Inactive

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218990
PNG
(CHEMBL300010)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C29H45N3O3/c1-5-6-19-32(4)29(35)26(21-24-15-11-8-12-16-24)31-28(34)25(20-22(2)3)30-27(33)18-17-23-13-9-7-10-14-23/h7,9-10,13-14,17-18,22,24-26H,5-6,8,11-12,15-16,19-21H2,1-4H3,(H,30,33)(H,31,34)/b18-17+/t25-,26-/m0/s1
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n/an/a>2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50218991
PNG
(CHEMBL57519)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H43N3O3/c1-5-6-17-30(4)27(33)24(19-21-13-9-7-10-14-21)29-26(32)23(18-20(2)3)28-25(31)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-24H,5-7,9-10,13-14,17-19H2,1-4H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production

Bioorg Med Chem Lett 14: 1917-21 (2004)


BindingDB Entry DOI: 10.7270/Q2TT4T4K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%