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PubMed code 21195610

Compile data set for download or QSAR
Found 35 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))		BDBM50364033
PNG
(CHEMBL1224151)
Show SMILES COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Presenilin-1


(Homo sapiens (Human))		BDBM50483255
PNG
(CHEMBL1643425)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(C)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C24H23F3N6O/c1-14-12-31(13-28-14)20-6-5-16(11-21(20)34-3)23-29-30-24-32(7-4-8-33(23)24)15(2)17-9-18(25)22(27)19(26)10-17/h5-6,9-13,15H,4,7-8H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483272
PNG
(CHEMBL1643449)
Show SMILES CC[C@H](N1CCCc2c(n[nH]c12)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C26H26F3N5O/c1-4-21(17-10-19(27)24(29)20(28)11-17)34-9-5-6-18-25(31-32-26(18)34)16-7-8-22(23(12-16)35-3)33-13-15(2)30-14-33/h7-8,10-14,21H,4-6,9H2,1-3H3,(H,31,32)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483256
PNG
(CHEMBL1643427)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(Cl)c(Cl)c3)CCCn12
Show InChI InChI=1S/C23H22Cl2N6O/c1-15-12-30(14-26-15)20-7-5-17(11-21(20)32-2)22-27-28-23-29(8-3-9-31(22)23)13-16-4-6-18(24)19(25)10-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483270
PNG
(CHEMBL1643421)
Show SMILES CCCC(N1CCCn2c1nnc2-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN6O/c1-4-6-22(19-7-10-21(27)11-8-19)32-13-5-14-33-25(29-30-26(32)33)20-9-12-23(24(15-20)34-3)31-16-18(2)28-17-31/h7-12,15-17,22H,4-6,13-14H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483278
PNG
(CHEMBL1643420)
Show SMILES CCC(N1CCCn2c1nnc2-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN6O/c1-4-21(18-6-9-20(26)10-7-18)31-12-5-13-32-24(28-29-25(31)32)19-8-11-22(23(14-19)33-3)30-15-17(2)27-16-30/h6-11,14-16,21H,4-5,12-13H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483277
PNG
(CHEMBL1643447)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1n[nH]c2N(CCCc12)C(C)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN5O/c1-16-14-30(15-27-16)22-11-8-19(13-23(22)32-3)24-21-5-4-12-31(25(21)29-28-24)17(2)18-6-9-20(26)10-7-18/h6-11,13-15,17H,4-5,12H2,1-3H3,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483271
PNG
(CHEMBL1643448)
Show SMILES CCC(N1CCCc2c(n[nH]c12)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C26H26F3N5O/c1-4-21(17-10-19(27)24(29)20(28)11-17)34-9-5-6-18-25(31-32-26(18)34)16-7-8-22(23(12-16)35-3)33-13-15(2)30-14-33/h7-8,10-14,21H,4-6,9H2,1-3H3,(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483273
PNG
(CHEMBL1643450)
Show SMILES CC[C@@H](N1CCCc2c(n[nH]c12)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C26H26F3N5O/c1-4-21(17-10-19(27)24(29)20(28)11-17)34-9-5-6-18-25(31-32-26(18)34)16-7-8-22(23(12-16)35-3)33-13-15(2)30-14-33/h7-8,10-14,21H,4-6,9H2,1-3H3,(H,31,32)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483254
PNG
(CHEMBL1643424)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(C)c1c(F)cc(F)cc1F
Show InChI InChI=1S/C24H23F3N6O/c1-14-12-31(13-28-14)20-6-5-16(9-21(20)34-3)23-29-30-24-32(7-4-8-33(23)24)15(2)22-18(26)10-17(25)11-19(22)27/h5-6,9-13,15H,4,7-8H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483276
PNG
(CHEMBL1643440)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1onc2N(Cc3ccc(F)cc3)CCCc12
Show InChI InChI=1S/C24H23FN4O2/c1-16-13-29(15-26-16)21-10-7-18(12-22(21)30-2)23-20-4-3-11-28(24(20)27-31-23)14-17-5-8-19(25)9-6-17/h5-10,12-13,15H,3-4,11,14H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483264
PNG
(CHEMBL1643441)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1onc2N(Cc3cc(F)cc(F)c3)CCCc12
Show InChI InChI=1S/C24H22F2N4O2/c1-15-12-30(14-27-15)21-6-5-17(10-22(21)31-2)23-20-4-3-7-29(24(20)28-32-23)13-16-8-18(25)11-19(26)9-16/h5-6,8-12,14H,3-4,7,13H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483265
PNG
(CHEMBL1643443)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1noc2N(CCCc12)[C@@H](C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN4O2/c1-16-14-29(15-27-16)22-11-8-19(13-23(22)31-3)24-21-5-4-12-30(25(21)32-28-24)17(2)18-6-9-20(26)10-7-18/h6-11,13-15,17H,4-5,12H2,1-3H3/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483286
PNG
(CHEMBL1643438)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1onc2N(CCCc12)[C@@H](C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN4O2/c1-16-14-29(15-27-16)22-11-8-19(13-23(22)31-3)24-21-5-4-12-30(25(21)28-32-24)17(2)18-6-9-20(26)10-7-18/h6-11,13-15,17H,4-5,12H2,1-3H3/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483282
PNG
(CHEMBL1643434)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(=O)C(C)c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6O2/c1-16-14-30(15-27-16)21-10-7-19(13-22(21)34-3)23-28-29-25-31(23)11-4-12-32(25)24(33)17(2)18-5-8-20(26)9-6-18/h5-10,13-15,17H,4,11-12H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483269
PNG
(CHEMBL1643419)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(C)c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN6O/c1-16-14-29(15-26-16)21-10-7-19(13-22(21)32-3)23-27-28-24-30(11-4-12-31(23)24)17(2)18-5-8-20(25)9-6-18/h5-10,13-15,17H,4,11-12H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483263
PNG
(CHEMBL1643439)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1onc2N(CCCc12)[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-17-15-28(16-26-17)22-12-11-20(14-23(22)30-3)24-21-10-7-13-29(25(21)27-31-24)18(2)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-16,18H,7,10,13H2,1-3H3/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483284
PNG
(CHEMBL1643446)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1noc2N(CCCc12)[C@@H](C)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C25H23F3N4O2/c1-14-12-31(13-29-14)21-7-6-16(11-22(21)33-3)24-18-5-4-8-32(25(18)34-30-24)15(2)17-9-19(26)23(28)20(27)10-17/h6-7,9-13,15H,4-5,8H2,1-3H3/t15-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483280
PNG
(CHEMBL1643426)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(F)c(F)c3)CCCn12
Show InChI InChI=1S/C23H22F2N6O/c1-15-12-30(14-26-15)20-7-5-17(11-21(20)32-2)22-27-28-23-29(8-3-9-31(22)23)13-16-4-6-18(24)19(25)10-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483258
PNG
(CHEMBL1643430)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCc3ccc(F)cc3)CCCn12
Show InChI InChI=1S/C24H25FN6O/c1-17-15-30(16-26-17)21-9-6-19(14-22(21)32-2)23-27-28-24-29(11-3-12-31(23)24)13-10-18-4-7-20(25)8-5-18/h4-9,14-16H,3,10-13H2,1-2H3
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n/an/a 619n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483253
PNG
(CHEMBL1641621)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(F)cc3)CCCn12
Show InChI InChI=1S/C23H23FN6O/c1-16-13-29(15-25-16)20-9-6-18(12-21(20)31-2)22-26-27-23-28(10-3-11-30(22)23)14-17-4-7-19(24)8-5-17/h4-9,12-13,15H,3,10-11,14H2,1-2H3
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n/an/a 649n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483266
PNG
(CHEMBL1643444)
Show SMILES CC[C@H](N1CCCc2c(noc12)-c1ccc(c(OC)c1)-n1cnc(C)c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN4O2/c1-4-22(18-7-10-20(27)11-8-18)31-13-5-6-21-25(29-33-26(21)31)19-9-12-23(24(14-19)32-3)30-15-17(2)28-16-30/h7-12,14-16,22H,4-6,13H2,1-3H3/t22-/m0/s1
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n/an/a 875n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483267
PNG
(CHEMBL1643445)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1noc2N(CCCc12)[C@@H](C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C25H24F2N4O2/c1-15-13-30(14-28-15)22-7-6-17(11-23(22)32-3)24-21-5-4-8-31(25(21)33-29-24)16(2)18-9-19(26)12-20(27)10-18/h6-7,9-14,16H,4-5,8H2,1-3H3/t16-/m0/s1
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n/an/a 935n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483283
PNG
(CHEMBL1643442)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1noc2N(CCCc12)[C@H](C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN4O2/c1-16-14-29(15-27-16)22-11-8-19(13-23(22)31-3)24-21-5-4-12-30(25(21)32-28-24)17(2)18-6-9-20(26)10-7-18/h6-11,13-15,17H,4-5,12H2,1-3H3/t17-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483275
PNG
(CHEMBL1643431)
Show SMILES CCCCCN1CCCn2c1nnc2-c1ccc(c(OC)c1)-n1cnc(C)c1
Show InChI InChI=1S/C21H28N6O/c1-4-5-6-10-25-11-7-12-27-20(23-24-21(25)27)17-8-9-18(19(13-17)28-3)26-14-16(2)22-15-26/h8-9,13-15H,4-7,10-12H2,1-3H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483281
PNG
(CHEMBL1643429)
Show SMILES COc1ccc(CN2CCCn3c2nnc3-c2ccc(c(OC)c2)-n2cnc(C)c2)cc1
Show InChI InChI=1S/C24H26N6O2/c1-17-14-29(16-25-17)21-10-7-19(13-22(21)32-3)23-26-27-24-28(11-4-12-30(23)24)15-18-5-8-20(31-2)9-6-18/h5-10,13-14,16H,4,11-12,15H2,1-3H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483260
PNG
(CHEMBL1643433)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C24H23FN6O2/c1-16-14-29(15-26-16)20-9-6-18(13-21(20)33-2)23-27-28-24-30(10-3-11-31(23)24)22(32)12-17-4-7-19(25)8-5-17/h4-9,13-15H,3,10-12H2,1-2H3
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n/an/a 1.92E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483285
PNG
(CHEMBL1643435)
Show SMILES CCCCC(=O)N1CCCn2c1nnc2-c1ccc(c(OC)c1)-n1cnc(C)c1
Show InChI InChI=1S/C21H26N6O2/c1-4-5-7-19(28)26-10-6-11-27-20(23-24-21(26)27)16-8-9-17(18(12-16)29-3)25-13-15(2)22-14-25/h8-9,12-14H,4-7,10-11H2,1-3H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483262
PNG
(CHEMBL1643437)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6O3S/c1-15-13-27(14-24-15)19-9-4-16(12-20(19)32-2)21-25-26-22-28(21)10-3-11-29(22)33(30,31)18-7-5-17(23)6-8-18/h4-9,12-14H,3,10-11H2,1-2H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483257
PNG
(CHEMBL1643428)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(Cc3ccc(cc3)C#N)CCCn12
Show InChI InChI=1S/C24H23N7O/c1-17-14-30(16-26-17)21-9-8-20(12-22(21)32-2)23-27-28-24-29(10-3-11-31(23)24)15-19-6-4-18(13-25)5-7-19/h4-9,12,14,16H,3,10-11,15H2,1-2H3
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n/an/a 2.53E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483274
PNG
(CHEMBL1643422)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(C1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN6O/c1-17-15-31(16-28-17)22-11-8-20(14-23(22)34-2)25-29-30-26-32(12-3-13-33(25)26)24(18-4-5-18)19-6-9-21(27)10-7-19/h6-11,14-16,18,24H,3-5,12-13H2,1-2H3
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n/an/a 1.64E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483259
PNG
(CHEMBL1643432)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN6O2/c1-15-13-28(14-25-15)19-9-6-17(12-20(19)32-2)21-26-27-23-29(21)10-3-11-30(23)22(31)16-4-7-18(24)8-5-16/h4-9,12-14H,3,10-11H2,1-2H3
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n/an/a 1.93E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483261
PNG
(CHEMBL1643436)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25N7O3/c1-15-13-26(14-22-15)17-5-4-16(12-18(17)30-2)19-23-24-20-27(19)6-3-7-28(20)21(29)25-8-10-31-11-9-25/h4-5,12-14H,3,6-11H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483279
PNG
(CHEMBL1643423)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2N(CCCn12)C(C1CC1)c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-18-16-30(17-27-18)22-12-11-21(15-23(22)33-2)25-28-29-26-31(13-6-14-32(25)26)24(20-9-10-20)19-7-4-3-5-8-19/h3-5,7-8,11-12,15-17,20,24H,6,9-10,13-14H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483268
PNG
(CHEMBL1643418)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nnc2NCCCn12
Show InChI InChI=1S/C16H18N6O/c1-11-9-21(10-18-11)13-5-4-12(8-14(13)23-2)15-19-20-16-17-6-3-7-22(15)16/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,20)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay

Bioorg Med Chem Lett 21: 664-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.012
BindingDB Entry DOI: 10.7270/Q2930X12
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%