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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3175   
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 PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28991
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H20Cl2N2O5S/c1-12(11-27-18(24)21-2)22(17-9-15(20)4-3-13(17)10-23)28(25,26)16-7-5-14(19)6-8-16/h3-9,12,23H,10-11H2,1-2H3,(H,21,24)/t12-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29012
PNG
(N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...)
Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1
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n/an/an/an/a 0.320n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28993
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H26Cl2N4O5S/c1-17(15-34-23(31)27-9-2-11-28-12-10-26-16-28)29(22-13-20(25)4-3-18(22)14-30)35(32,33)21-7-5-19(24)6-8-21/h3-8,10,12-13,16-17,30H,2,9,11,14-15H2,1H3,(H,27,31)/t17-/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28994
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)NCCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N6O5S/c1-15(13-34-21(31)24-9-2-10-28-26-14-25-27-28)29(20-11-18(23)4-3-16(20)12-30)35(32,33)19-7-5-17(22)6-8-19/h3-8,11,14-15,30H,2,9-10,12-13H2,1H3,(H,24,31)/t15-/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28995
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-13(2)23-20(26)29-12-14(3)24(19-10-17(22)5-4-15(19)11-25)30(27,28)18-8-6-16(21)7-9-18/h4-10,13-14,25H,11-12H2,1-3H3,(H,23,26)/t14-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28996
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H26Cl2N2O5S/c1-4-14(2)24-21(27)30-13-15(3)25(20-11-18(23)6-5-16(20)12-26)31(28,29)19-9-7-17(22)8-10-19/h5-11,14-15,26H,4,12-13H2,1-3H3,(H,24,27)/t14?,15-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28997
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)NC1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H28Cl2N2O5S/c1-16(15-32-23(29)26-20-5-3-2-4-6-20)27(22-13-19(25)8-7-17(22)14-28)33(30,31)21-11-9-18(24)10-12-21/h7-13,16,20,28H,2-6,14-15H2,1H3,(H,26,29)/t16-/m1/s1
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n/an/an/an/a 5.60n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28998
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)NC(C)(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H26Cl2N2O5S/c1-14(13-30-20(27)24-21(2,3)4)25(19-11-17(23)6-5-15(19)12-26)31(28,29)18-9-7-16(22)8-10-18/h5-11,14,26H,12-13H2,1-4H3,(H,24,27)/t14-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28999
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCN(CC)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H26Cl2N2O5S/c1-4-24(5-2)21(27)30-14-15(3)25(20-12-18(23)7-6-16(20)13-26)31(28,29)19-10-8-17(22)9-11-19/h6-12,15,26H,4-5,13-14H2,1-3H3/t15-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29000
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)N1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N2O5S/c1-15(14-30-21(27)24-10-2-3-11-24)25(20-12-18(23)5-4-16(20)13-26)31(28,29)19-8-6-17(22)7-9-19/h4-9,12,15,26H,2-3,10-11,13-14H2,1H3/t15-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29001
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N4O5S/c1-16(14-33-22(30)26-9-11-27-10-8-25-15-27)28(21-12-19(24)3-2-17(21)13-29)34(31,32)20-6-4-18(23)5-7-20/h2-8,10,12,15-16,29H,9,11,13-14H2,1H3,(H,26,30)/t16-/m1/s1
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n/an/an/an/a 0.930n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29002
PNG
((3R)-3-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](CCOC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H26Cl2N4O5S/c1-17(8-13-34-23(31)27-10-12-28-11-9-26-16-28)29(22-14-20(25)3-2-18(22)15-30)35(32,33)21-6-4-19(24)5-7-21/h2-7,9,11,14,16-17,30H,8,10,12-13,15H2,1H3,(H,27,31)/t17-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29003
PNG
((3R)-3-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](CCOC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H28Cl2N4O5S/c1-18(9-14-35-24(32)28-10-2-12-29-13-11-27-17-29)30(23-15-21(26)4-3-19(23)16-31)36(33,34)22-7-5-20(25)6-8-22/h3-8,11,13,15,17-18,31H,2,9-10,12,14,16H2,1H3,(H,28,32)/t18-/m1/s1
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n/an/an/an/a 7.70n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29004
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H30Cl2N4O5S/c1-3-30(13-4-12-29-14-11-28-18-29)25(33)36-17-19(2)31(24-15-22(27)6-5-20(24)16-32)37(34,35)23-9-7-21(26)8-10-23/h5-11,14-15,18-19,32H,3-4,12-13,16-17H2,1-2H3/t19-/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29005
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES C[C@H](COC(=O)N(CCCn1ccnc1)CC1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl2N4O5S/c1-20(18-38-27(35)32(16-21-3-4-21)13-2-12-31-14-11-30-19-31)33(26-15-24(29)6-5-22(26)17-34)39(36,37)25-9-7-23(28)8-10-25/h5-11,14-15,19-21,34H,2-4,12-13,16-18H2,1H3/t20-/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29007
PNG
((2R)-2-[(4-chlorobenzene)(2,5-difluorophenyl)sulfo...)
Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClF2N4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29009
PNG
((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...)
Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23Cl3N4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1
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n/an/an/an/a 0.410n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29011
PNG
((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...)
Show SMILES CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl3N4O4S/c1-3-30(13-4-12-29-14-11-28-17-29)24(32)35-16-18(2)31(23-15-20(26)7-10-22(23)27)36(33,34)21-8-5-19(25)6-9-21/h5-11,14-15,17-18H,3-4,12-13,16H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29013
PNG
(4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...)
Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1
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n/an/an/an/a 0.510n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29006
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CC(C)N(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H32Cl2N4O5S/c1-19(2)31(13-4-12-30-14-11-29-18-30)26(34)37-17-20(3)32(25-15-23(28)6-5-21(25)16-33)38(35,36)24-9-7-22(27)8-10-24/h5-11,14-15,18-20,33H,4,12-13,16-17H2,1-3H3/t20-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29008
PNG
((2R)-2-[(5-chloro-2-fluorophenyl)(4-chlorobenzene)...)
Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23Cl2FN4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1
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n/an/an/an/a 0.660n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM29010
PNG
((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...)
Show SMILES C[C@H](COC(=O)N(C)CCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H25Cl3N4O4S/c1-17(15-34-23(31)28(2)11-3-12-29-13-10-27-16-29)30(22-14-19(25)6-9-21(22)26)35(32,33)20-7-4-18(24)5-8-20/h4-10,13-14,16-17H,3,11-12,15H2,1-2H3/t17-/m1/s1
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n/an/an/an/a 0.480n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28992
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H22Cl2N2O5S/c1-3-22-19(25)28-12-13(2)23(18-10-16(21)5-4-14(18)11-24)29(26,27)17-8-6-15(20)7-9-17/h4-10,13,24H,3,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.102
BindingDB Entry DOI: 10.7270/Q2Z60MD6
More data for this
Ligand-Target Pair