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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'wong' and Initial = 'gt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220297
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C31H38ClF2N3O4S/c32-23-7-9-27(10-8-23)42(39,40)37-28(22-19-24(33)21-25(34)20-22)5-4-6-29(37)31(13-14-31)41-30(38)36-17-11-26(12-18-36)35-15-2-1-3-16-35/h7-10,19-21,26,28-29H,1-6,11-18H2/t28-,29+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220270
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H32ClF2N3O5S/c28-20-4-6-23(7-5-20)39(36,37)33-24(19-16-21(29)18-22(30)17-19)2-1-3-25(33)27(8-9-27)38-26(35)32-12-10-31(11-13-32)14-15-34/h4-7,16-18,24-25,34H,1-3,8-15H2/t24-,25+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220288
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-propylpipe...)
Show SMILES CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42ClN3O4S/c1-2-7-24-8-6-9-26(32(24)37(34,35)25-12-10-22(29)11-13-25)28(16-17-28)36-27(33)31-20-14-23(15-21-31)30-18-4-3-5-19-30/h10-13,23-24,26H,2-9,14-21H2,1H3/t24-,26-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220271
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1)C1CC1
Show InChI InChI=1S/C28H40ClN3O4S/c29-22-9-11-24(12-10-22)37(34,35)32-25(21-7-8-21)5-4-6-26(32)28(15-16-28)36-27(33)31-19-13-23(14-20-31)30-17-2-1-3-18-30/h9-12,21,23,25-26H,1-8,13-20H2/t25-,26+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220277
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(O)(CC)CC1
Show InChI InChI=1S/C24H35ClN2O5S/c1-3-19-6-5-7-21(27(19)33(30,31)20-10-8-18(25)9-11-20)24(12-13-24)32-22(28)26-16-14-23(29,4-2)15-17-26/h8-11,19,21,29H,3-7,12-17H2,1-2H3/t19-,21-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220302
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)C[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H37ClF3N3O4S/c28-20-7-9-23(10-8-20)39(36,37)34-22(19-27(29,30)31)5-4-6-24(34)26(13-14-26)38-25(35)33-17-11-21(12-18-33)32-15-2-1-3-16-32/h7-10,21-22,24H,1-6,11-19H2/t22-,24+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220284
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H40ClN3O4S/c1-2-22-7-6-8-25(31(22)36(33,34)24-11-9-21(28)10-12-24)27(15-16-27)35-26(32)30-19-13-23(14-20-30)29-17-4-3-5-18-29/h9-12,22-23,25H,2-8,13-20H2,1H3/t22-,25-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220275
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H36ClN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10-6-18(26)7-11-22)25(12-13-25)34-24(31)27-16-20-8-9-21(17-27)28(20)14-15-30/h6-7,10-11,19-21,23,30H,2-5,8-9,12-17H2,1H3/t19-,20?,21?,23-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220277
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(O)(CC)CC1
Show InChI InChI=1S/C24H35ClN2O5S/c1-3-19-6-5-7-21(27(19)33(30,31)20-10-8-18(25)9-11-20)24(12-13-24)32-22(28)26-16-14-23(29,4-2)15-17-26/h8-11,19,21,29H,3-7,12-17H2,1-2H3/t19-,21-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220291
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38ClN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220283
PNG
(1-((2R,6R)-1-(3,4-difluorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H39F2N3O4S/c1-2-20-7-6-8-25(32(20)37(34,35)22-9-10-23(28)24(29)19-22)27(13-14-27)36-26(33)31-17-11-21(12-18-31)30-15-4-3-5-16-30/h9-10,19-21,25H,2-8,11-18H2,1H3/t20-,25-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431915
PNG
(CHEMBL2347824)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1cnn(C)c1)C#N
Show InChI InChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21)
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n/an/a 7n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220275
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H36ClN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10-6-18(26)7-11-22)25(12-13-25)34-24(31)27-16-20-8-9-21(17-27)28(20)14-15-30/h6-7,10-11,19-21,23,30H,2-5,8-9,12-17H2,1H3/t19-,20?,21?,23-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220291
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38ClN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220274
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CCO)(CC1)OC
Show InChI InChI=1S/C25H37ClN2O6S/c1-3-20-5-4-6-22(28(20)35(31,32)21-9-7-19(26)8-10-21)25(11-12-25)34-23(30)27-16-13-24(33-2,14-17-27)15-18-29/h7-10,20,22,29H,3-6,11-18H2,1-2H3/t20-,22-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431914
PNG
(CHEMBL2347825)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(C)C)c(cnc2c1)C#N
Show InChI InChI=1S/C20H20N4O2S/c1-13(2)24-20-16(11-21)12-23-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)27(25,26)22-3/h4-10,12-13,22H,1-3H3,(H,23,24)
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n/an/a 9n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220299
PNG
(1-((2R,6R)-1-(3,4-difluorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H37F2N3O5S/c1-4-18-6-5-7-22(30(18)36(33,34)19-8-9-20(26)21(27)16-19)25(10-11-25)35-23(32)28-12-14-29(15-13-28)24(2,3)17-31/h8-9,16,18,22,31H,4-7,10-15,17H2,1-3H3/t18-,22-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431906
PNG
(CHEMBL2347809)
Show SMILES Cn1cc(cn1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
Show InChI InChI=1S/C17H15N5/c1-21-11-14(10-20-21)12-3-4-15-16(7-12)19-9-13(8-18)17(15)22-5-2-6-22/h3-4,7,9-11H,2,5-6H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220281
PNG
(1-((2R,6R)-6-ethyl-1-(4-fluorophenylsulfonyl)piper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38FN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220292
PNG
((S)-1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)[C@@H](C)C1
Show InChI InChI=1S/C24H36ClN3O5S/c1-3-20-5-4-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-14-13-26(15-16-29)18(2)17-27/h7-10,18,20,22,29H,3-6,11-17H2,1-2H3/t18-,20+,22+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220296
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H38ClN3O5S/c1-25(2,18-31)29-16-14-28(15-17-29)24(32)35-26(12-13-26)23-5-3-4-22(19-6-7-19)30(23)36(33,34)21-10-8-20(27)9-11-21/h8-11,19,22-23,31H,3-7,12-18H2,1-2H3/t22-,23+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220280
PNG
((S)-1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)C[C@@H]1C
Show InChI InChI=1S/C24H36ClN3O5S/c1-3-20-5-4-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-14-13-26(15-16-29)17-18(27)2/h7-10,18,20,22,29H,3-6,11-17H2,1-2H3/t18-,20+,22+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220303
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H34ClN3O5S/c1-2-19-4-3-5-21(27(19)33(30,31)20-8-6-18(24)7-9-20)23(10-11-23)32-22(29)26-14-12-25(13-15-26)16-17-28/h6-9,19,21,28H,2-5,10-17H2,1H3/t19-,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431911
PNG
(CHEMBL2347804)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1)C#N
Show InChI InChI=1S/C23H24N4O2S/c1-16(2)26-23-19(14-24)15-25-22-13-18(7-10-21(22)23)17-5-8-20(9-6-17)30(28,29)27-11-3-4-12-27/h5-10,13,15-16H,3-4,11-12H2,1-2H3,(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220292
PNG
((S)-1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)[C@@H](C)C1
Show InChI InChI=1S/C24H36ClN3O5S/c1-3-20-5-4-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-14-13-26(15-16-29)18(2)17-27/h7-10,18,20,22,29H,3-6,11-17H2,1-2H3/t18-,20+,22+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220278
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(2,2,2-tri...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC(F)(F)F)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31ClF3N3O5S/c24-17-4-6-19(7-5-17)36(33,34)30-18(16-23(25,26)27)2-1-3-20(30)22(8-9-22)35-21(32)29-12-10-28(11-13-29)14-15-31/h4-7,18,20,31H,1-3,8-16H2/t18-,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220280
PNG
((S)-1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)C[C@@H]1C
Show InChI InChI=1S/C24H36ClN3O5S/c1-3-20-5-4-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-14-13-26(15-16-29)17-18(27)2/h7-10,18,20,22,29H,3-6,11-17H2,1-2H3/t18-,20+,22+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431913
PNG
(CHEMBL2347826)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26)
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n/an/a 14n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220286
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCCO)CC1
Show InChI InChI=1S/C24H36ClN3O5S/c1-2-20-5-3-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-16-14-26(15-17-27)13-4-18-29/h7-10,20,22,29H,2-6,11-18H2,1H3/t20-,22-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220287
PNG
((2S)-9-(4-chlorophenylsulfonyl)-9-aza-bicyclo[3.3....)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1[C@H](CC2)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C25H36ClN3O4S/c26-19-7-10-22(11-8-19)34(31,32)29-21-5-4-6-23(29)24(12-9-21)33-25(30)28-17-13-20(14-18-28)27-15-2-1-3-16-27/h7-8,10-11,20-21,23-24H,1-6,9,12-18H2/t21?,23?,24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220279
PNG
(1-((2R,6R)-6-ethyl-1-(4-fluorophenylsulfonyl)piper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H40FN3O4S/c1-2-22-7-6-8-25(31(22)36(33,34)24-11-9-21(28)10-12-24)27(15-16-27)35-26(32)30-19-13-23(14-20-30)29-17-4-3-5-18-29/h9-12,22-23,25H,2-8,13-20H2,1H3/t22-,25-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431905
PNG
(CHEMBL2347810)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-26(24,25)17-6-3-14(4-7-17)15-5-8-18-19(11-15)22-13-16(12-21)20(18)23-9-2-10-23/h3-8,11,13H,2,9-10H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220285
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES OCCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H36ClN3O5S/c26-20-7-9-21(10-8-20)35(32,33)29-22(19-5-6-19)3-1-4-23(29)25(11-12-25)34-24(31)28-16-14-27(15-17-28)13-2-18-30/h7-10,19,22-23,30H,1-6,11-18H2/t22-,23+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220286
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCCO)CC1
Show InChI InChI=1S/C24H36ClN3O5S/c1-2-20-5-3-6-22(28(20)34(31,32)21-9-7-19(25)8-10-21)24(11-12-24)33-23(30)27-16-14-26(15-17-27)13-4-18-29/h7-10,20,22,29H,2-6,11-18H2,1H3/t20-,22-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220294
PNG
((R)-1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-d...)
Show SMILES O[C@@H]1CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H27ClF2N2O5S/c26-17-4-6-21(7-5-17)36(33,34)30-22(16-12-18(27)14-19(28)13-16)2-1-3-23(30)25(9-10-25)35-24(32)29-11-8-20(31)15-29/h4-7,12-14,20,22-23,31H,1-3,8-11,15H2/t20-,22+,23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220299
PNG
(1-((2R,6R)-1-(3,4-difluorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H37F2N3O5S/c1-4-18-6-5-7-22(30(18)36(33,34)19-8-9-20(26)21(27)16-19)25(10-11-25)35-23(32)28-12-14-29(15-13-28)24(2,3)17-31/h8-9,16,18,22,31H,4-7,10-15,17H2,1-3H3/t18-,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220274
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CCO)(CC1)OC
Show InChI InChI=1S/C25H37ClN2O6S/c1-3-20-5-4-6-22(28(20)35(31,32)21-9-7-19(26)8-10-21)25(11-12-25)34-23(30)27-16-13-24(33-2,14-17-27)15-18-29/h7-10,20,22,29H,3-6,11-18H2,1-2H3/t20-,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431904
PNG
(CHEMBL2347811)
Show SMILES CN(C)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431912
PNG
(CHEMBL2347827)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1cnc(C)s1)C#N
Show InChI InChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21)
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n/an/a 23n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220304
PNG
(1-((2R,6R)-6-ethyl-1-(4-fluorophenylsulfonyl)piper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H36FN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10-6-18(26)7-11-22)25(12-13-25)34-24(31)27-16-20-8-9-21(17-27)28(20)14-15-30/h6-7,10-11,19-21,23,30H,2-5,8-9,12-17H2,1H3/t19-,20?,21?,23-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220281
PNG
(1-((2R,6R)-6-ethyl-1-(4-fluorophenylsulfonyl)piper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38FN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220300
PNG
(1-((2R,6R)-1-(3,4-difluorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H35F2N3O5S/c1-2-17-4-3-5-23(30(17)36(33,34)20-8-9-21(26)22(27)14-20)25(10-11-25)35-24(32)28-15-18-6-7-19(16-28)29(18)12-13-31/h8-9,14,17-19,23,31H,2-7,10-13,15-16H2,1H3/t17-,18?,19?,23-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220298
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H34ClN3O5S/c25-19-6-8-20(9-7-19)34(31,32)28-21(18-4-5-18)2-1-3-22(28)24(10-11-24)33-23(30)27-14-12-26(13-15-27)16-17-29/h6-9,18,21-22,29H,1-5,10-17H2/t21-,22+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220293
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CCCC1(O)CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H35ClN2O5S/c1-3-12-23(29)15-16-26(17-23)22(28)32-24(13-14-24)21-7-5-6-19(4-2)27(21)33(30,31)20-10-8-18(25)9-11-20/h8-11,19,21,29H,3-7,12-17H2,1-2H3/t19-,21-,23?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220273
PNG
(1-((2R,6R)-1-(3,5-difluorophenylsulfonyl)-6-ethylp...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H39F2N3O4S/c1-2-22-7-6-8-25(32(22)37(34,35)24-18-20(28)17-21(29)19-24)27(11-12-27)36-26(33)31-15-9-23(10-16-31)30-13-4-3-5-14-30/h17-19,22-23,25H,2-16H2,1H3/t22-,25-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431917
PNG
(CHEMBL2347823)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C20H19N3O2S/c1-13(2)23-20-16(11-21)12-22-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)26(3,24)25/h4-10,12-13H,1-3H3,(H,22,23)
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n/an/a 31n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220285
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES OCCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H36ClN3O5S/c26-20-7-9-21(10-8-20)35(32,33)29-22(19-5-6-19)3-1-4-23(29)25(11-12-25)34-24(31)28-16-14-27(15-17-28)13-2-18-30/h7-10,19,22-23,30H,1-6,11-18H2/t22-,23+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431910
PNG
(CHEMBL2347805)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C)C#N
Show InChI InChI=1S/C21H22N4O2S/c1-14(2)24-21-17(12-22)13-23-20-11-16(7-10-19(20)21)15-5-8-18(9-6-15)28(26,27)25(3)4/h5-11,13-14H,1-4H3,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50220296
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H38ClN3O5S/c1-25(2,18-31)29-16-14-28(15-17-29)24(32)35-26(12-13-26)23-5-3-4-22(19-6-7-19)30(23)36(33,34)21-10-8-20(27)9-11-21/h8-11,19,22-23,31H,3-7,12-18H2,1-2H3/t22-,23+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428719
PNG
(CHEMBL2333125)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-12(2)23-19-16-9-6-14(10-18(16)22-11-17(19)20(21)24)13-4-7-15(8-5-13)27(3,25)26/h4-12H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 39n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
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