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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'murakami' and Initial = 'c'   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(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



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223748
PNG
(CHEMBL406322)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C25H32N4O4S/c1-15(2)12-20(26-21(30)13-17-10-11-34-14-17)23(31)27-22-18-8-6-7-9-19(18)24(32)29(16(3)4)28(5)25(22)33/h6-11,14-16,20,22H,12-13H2,1-5H3,(H,26,30)(H,27,31)/t20-,22?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223740
PNG
(CHEMBL431679)
Show SMILES [H][C@@](O)(C(=O)N[C@@H](C)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H26F2N4O5/c1-12(2)30-23(34)18-8-6-5-7-17(18)19(24(35)29(30)4)28-21(32)13(3)27-22(33)20(31)14-9-15(25)11-16(26)10-14/h5-13,19-20,31H,1-4H3,(H,27,33)(H,28,32)/t13-,19?,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223752
PNG
(CHEMBL117978)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C)N(C)C1=O |r|
Show InChI InChI=1S/C22H22F2N4O4/c1-12(25-18(29)10-13-8-14(23)11-15(24)9-13)20(30)26-19-16-6-4-5-7-17(16)21(31)27(2)28(3)22(19)32/h4-9,11-12,19H,10H2,1-3H3,(H,25,29)(H,26,30)/t12-,19?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(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



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223756
PNG
(CHEMBL333710)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccsc2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O4S/c1-13(2)26-21(29)17-8-6-5-7-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)11-15-9-10-31-12-15/h5-10,12-14,19H,11H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223759
PNG
(CHEMBL118469)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C27H32F2N4O4/c1-15(2)10-22(30-23(34)13-17-11-18(28)14-19(29)12-17)25(35)31-24-20-8-6-7-9-21(20)26(36)33(16(3)4)32(5)27(24)37/h6-9,11-12,14-16,22,24H,10,13H2,1-5H3,(H,30,34)(H,31,35)/t22-,24?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223754
PNG
(CHEMBL332885)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccoc2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O5/c1-13(2)26-21(29)17-8-6-5-7-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)11-15-9-10-31-12-15/h5-10,12-14,19H,11H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223738
PNG
(CHEMBL118450)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2C1=O
Show InChI InChI=1S/C24H26F2N4O4/c1-13(2)30-23(33)19-8-6-5-7-18(19)21(24(34)29(30)4)28-22(32)14(3)27-20(31)11-15-9-16(25)12-17(26)10-15/h5-10,12-14,21H,11H2,1-4H3,(H,27,31)(H,28,32)/t14-,21?/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223737
PNG
(CHEMBL115852)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccc(F)c2)c2ccccc2C1=O
Show InChI InChI=1S/C24H27FN4O4/c1-14(2)29-23(32)19-11-6-5-10-18(19)21(24(33)28(29)4)27-22(31)15(3)26-20(30)13-16-8-7-9-17(25)12-16/h5-12,14-15,21H,13H2,1-4H3,(H,26,30)(H,27,31)/t15-,21?/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(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



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223761
PNG
(CHEMBL421236)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H23F2N3O3/c1-15(29-23(32)13-16-11-17(27)14-18(28)12-16)25(33)30-24-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(24)34/h3-12,14-15,24H,13H2,1-2H3,(H,29,32)(H,30,33)/t15-,24?/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223736
PNG
(CHEMBL119657)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccco2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O5/c1-13(2)26-21(29)17-10-6-5-9-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)12-15-8-7-11-31-15/h5-11,13-14,19H,12H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223753
PNG
(CHEMBL119059)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C24H28N4O4/c1-15(2)28-23(31)19-13-9-8-12-18(19)21(24(32)27(28)4)26-22(30)16(3)25-20(29)14-17-10-6-5-7-11-17/h5-13,15-16,21H,14H2,1-4H3,(H,25,29)(H,26,30)/t16-,21?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223749
PNG
(CHEMBL332977)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C24H34N4O4/c1-15(2)28-23(31)19-13-9-8-12-18(19)21(24(32)27(28)4)26-22(30)16(3)25-20(29)14-17-10-6-5-7-11-17/h8-9,12-13,15-17,21H,5-7,10-11,14H2,1-4H3,(H,25,29)(H,26,30)/t16-,21?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223750
PNG
(CHEMBL119731)
Show SMILES CC(C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C26H30F2N4O4/c1-14(2)22(29-21(33)12-16-10-17(27)13-18(28)11-16)24(34)30-23-19-8-6-7-9-20(19)25(35)32(15(3)4)31(5)26(23)36/h6-11,13-15,22-23H,12H2,1-5H3,(H,29,33)(H,30,34)/t22-,23?/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223739
PNG
(CHEMBL117056)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:19|
Show InChI InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223741
PNG
(CHEMBL333173)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(-c2ccccc2)n(C)c1=O
Show InChI InChI=1S/C25H26F2N4O3/c1-15(2)9-20(29-22(32)12-16-10-18(26)13-19(27)11-16)24(33)30-21-14-28-23(31(3)25(21)34)17-7-5-4-6-8-17/h4-8,10-11,13-15,20H,9,12H2,1-3H3,(H,29,32)(H,30,33)/t20-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223751
PNG
(CHEMBL119353)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)C(=NC1(C)C)c1ccccc1 |c:26|
Show InChI InChI=1S/C27H32F2N4O3/c1-16(2)11-21(30-22(34)14-17-12-19(28)15-20(29)13-17)25(35)31-23-26(36)33(5)24(32-27(23,3)4)18-9-7-6-8-10-18/h6-10,12-13,15-16,21,23H,11,14H2,1-5H3,(H,30,34)(H,31,35)/t21-,23?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223764
PNG
(CHEMBL119757)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccncc2)c2ccccc2C1=O
Show InChI InChI=1S/C23H27N5O4/c1-14(2)28-22(31)18-8-6-5-7-17(18)20(23(32)27(28)4)26-21(30)15(3)25-19(29)13-16-9-11-24-12-10-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,26,30)/t15-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223763
PNG
(CHEMBL261984)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)c2ccccc2C1=O
Show InChI InChI=1S/C28H30N4O4/c1-17(2)32-27(35)23-15-8-7-14-22(23)25(28(36)31(32)4)30-26(34)18(3)29-24(33)16-20-12-9-11-19-10-5-6-13-21(19)20/h5-15,17-18,25H,16H2,1-4H3,(H,29,33)(H,30,34)/t18-,25?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223760
PNG
(CHEMBL332071)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccnc2)c2ccccc2C1=O
Show InChI InChI=1S/C23H27N5O4/c1-14(2)28-22(31)18-10-6-5-9-17(18)20(23(32)27(28)4)26-21(30)15(3)25-19(29)12-16-8-7-11-24-13-16/h5-11,13-15,20H,12H2,1-4H3,(H,25,29)(H,26,30)/t15-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223755
PNG
(CHEMBL118108)
Show SMILES COc1cc(CC(=O)N[C@@H](C)C(=O)NC2c3ccccc3C(=O)N(C(C)C)N(C)C2=O)cc(OC)c1
Show InChI InChI=1S/C26H32N4O6/c1-15(2)30-25(33)21-10-8-7-9-20(21)23(26(34)29(30)4)28-24(32)16(3)27-22(31)13-17-11-18(35-5)14-19(12-17)36-6/h7-12,14-16,23H,13H2,1-6H3,(H,27,31)(H,28,32)/t16-,23?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50223765
PNG
(CHEMBL420538)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2C1=O
Show InChI InChI=1S/C26H26F6N4O4/c1-13(2)36-23(39)19-8-6-5-7-18(19)21(24(40)35(36)4)34-22(38)14(3)33-20(37)11-15-9-16(25(27,28)29)12-17(10-15)26(30,31)32/h5-10,12-14,21H,11H2,1-4H3,(H,33,37)(H,34,38)/t14-,21?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair