Found 283 hits with Last Name = 'josien' and Initial = 'hb' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095105
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103771
((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C37H40N2O6S/c1-43-31-11-15-33(16-12-31)46(41,42)32-13-9-28(10-14-32)37(44-25-26-45-37)29-17-21-38(22-18-29)30-19-23-39(24-20-30)36(40)35-8-4-6-27-5-2-3-7-34(27)35/h2-16,29-30H,17-26H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103774
((5-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103772
((5,7-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cc(F)cc12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-29-7-11-31(12-8-29)48(43,44)30-9-5-25(6-10-30)37(46-21-22-47-37)26-13-17-40(18-14-26)28-15-19-41(20-16-28)36(42)33-4-2-3-32-34(33)23-27(38)24-35(32)39/h2-12,23-24,26,28H,13-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103767
((5,8-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)ccc(F)c12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-28-7-11-30(12-8-28)48(43,44)29-9-5-25(6-10-29)37(46-23-24-47-37)26-15-19-40(20-16-26)27-17-21-41(22-18-27)36(42)32-4-2-3-31-33(38)13-14-34(39)35(31)32/h2-14,26-27H,15-24H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103773
((4-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-8-12-31(13-9-29)47(42,43)30-10-6-26(7-11-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-14-15-35(38)33-5-3-2-4-32(33)34/h2-15,27-28H,16-25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103768
((5-Bromo-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(Br)cccc12 Show InChI InChI=1S/C37H39BrN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103775
((6-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-31-8-12-33(13-9-31)47(42,43)32-10-5-27(6-11-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)35-4-2-3-26-25-29(38)7-14-34(26)35/h2-14,25,28,30H,15-24H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103769
((8-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cccc(F)c12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-30-10-14-32(15-11-30)47(42,43)31-12-8-27(9-13-31)37(45-24-25-46-37)28-16-20-39(21-17-28)29-18-22-40(23-19-29)36(41)33-6-2-4-26-5-3-7-34(38)35(26)33/h2-15,28-29H,16-25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103770
((7-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccc(F)cc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-31-9-13-33(14-10-31)47(42,43)32-11-6-27(7-12-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)34-4-2-3-26-5-8-29(38)25-35(26)34/h2-14,25,28,30H,15-24H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103776
((6-Chloro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(Cl)ccc12 Show InChI InChI=1S/C37H39ClN2O6S/c1-44-31-8-12-33(13-9-31)47(42,43)32-10-5-27(6-11-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)35-4-2-3-26-25-29(38)7-14-34(26)35/h2-14,25,28,30H,15-24H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50103777
(4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]d...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O7S2/c1-3-22-39(32,33)31-18-14-25(15-19-31)30-16-12-24(13-17-30)29(37-20-21-38-29)23-4-8-27(9-5-23)40(34,35)28-10-6-26(36-2)7-11-28/h4-11,24-25H,3,12-22H2,1-2H3 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 11: 2311-4 (2001)
BindingDB Entry DOI: 10.7270/Q28S4P7Z |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477384
(CHEMBL248276)Show SMILES Fc1cc(F)cc(c1)C1CCCC(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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477389
(CHEMBL248285)Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H39ClFN3O4S/c32-24-10-12-27(13-11-24)41(38,39)36-28(23-6-4-7-25(33)22-23)8-5-9-29(36)31(16-17-31)40-30(37)35-20-14-26(15-21-35)34-18-2-1-3-19-34/h4,6-7,10-13,22,26,28-29H,1-3,5,8-9,14-21H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477366
(CHEMBL537890)Show SMILES Cl.Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H39ClFN3O4S.ClH/c32-24-10-12-27(13-11-24)41(38,39)36-28(23-6-4-7-25(33)22-23)8-5-9-29(36)31(16-17-31)40-30(37)35-20-14-26(15-21-35)34-18-2-1-3-19-34;/h4,6-7,10-13,22,26,28-29H,1-3,5,8-9,14-21H2;1H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477377
(CHEMBL248070)Show SMILES C[C@H]1CN(CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1)C(C)(CO)CO Show InChI InChI=1S/C30H39ClFN3O6S/c1-21-18-33(29(2,19-36)20-37)15-16-34(21)28(38)41-30(13-14-30)27-8-4-7-26(22-5-3-6-24(32)17-22)35(27)42(39,40)25-11-9-23(31)10-12-25/h3,5-6,9-12,17,21,26-27,36-37H,4,7-8,13-16,18-20H2,1-2H3/t21-,26?,27?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM103948
(US8569521, 144)Show SMILES CCS(=O)(=O)NC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24ClF2NO5S2/c1-2-32(27,28)26-12-14-4-3-11-22(33(29,30)16-7-5-15(23)6-8-16)17(14)13-31-21-19(25)10-9-18(24)20(21)22/h5-10,14,17,26H,2-4,11-13H2,1H3/t14-,17-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Gamma-secretase activity was determined as described by Zhang et al. (Biochemistry, 40(16), 5049-5055, 2001). |
US Patent US8569521 (2013)
BindingDB Entry DOI: 10.7270/Q2DR2T4D |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477372
(CHEMBL245413)Show SMILES CCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C27H32ClF2N3O4S/c1-2-31-12-14-32(15-13-31)26(34)37-27(10-11-27)25-5-3-4-24(19-16-21(29)18-22(30)17-19)33(25)38(35,36)23-8-6-20(28)7-9-23/h6-9,16-18,24-25H,2-5,10-15H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477363
(CHEMBL248275)Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C27H33ClFN3O5S/c28-21-7-9-23(10-8-21)38(35,36)32-24(20-3-1-4-22(29)19-20)5-2-6-25(32)27(11-12-27)37-26(34)31-15-13-30(14-16-31)17-18-33/h1,3-4,7-10,19,24-25,33H,2,5-6,11-18H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
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)) | BDBM50129274
(CHEMBL3629745)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
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)) | BDBM50129274
(CHEMBL3629745)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477371
(CHEMBL393712)Show SMILES C[C@H]1CN(CCO)CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C28H35ClFN3O5S/c1-20-19-31(16-17-34)14-15-32(20)27(35)38-28(12-13-28)26-7-3-6-25(21-4-2-5-23(30)18-21)33(26)39(36,37)24-10-8-22(29)9-11-24/h2,4-5,8-11,18,20,25-26,34H,3,6-7,12-17,19H2,1H3/t20-,25?,26?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477392
(CHEMBL247869)Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C31H37ClF3N3O4S/c32-23-7-9-26(10-8-23)43(40,41)38-27(22-3-1-4-24(33)21-22)5-2-6-28(38)30(13-14-30)42-29(39)37-17-11-25(12-18-37)36-19-15-31(34,35)16-20-36/h1,3-4,7-10,21,25,27-28H,2,5-6,11-20H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477365
(CHEMBL245414)Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477386
(CHEMBL392075)Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1C2CCC1CC(C2)N1CCCCC1 |THB:37:35:29:31.32| Show InChI InChI=1S/C33H41ClFN3O4S/c34-24-10-14-29(15-11-24)43(40,41)38-30(23-6-4-7-25(35)20-23)8-5-9-31(38)33(16-17-33)42-32(39)37-26-12-13-27(37)22-28(21-26)36-18-2-1-3-19-36/h4,6-7,10-11,14-15,20,26-28,30-31H,1-3,5,8-9,12-13,16-19,21-22H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477369
(CHEMBL248477)Show SMILES CC(C)N1CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C28H34ClF2N3O4S/c1-19(2)32-12-14-33(15-13-32)27(35)38-28(10-11-28)26-5-3-4-25(20-16-22(30)18-23(31)17-20)34(26)39(36,37)24-8-6-21(29)7-9-24/h6-9,16-19,25-26H,3-5,10-15H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
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)) | BDBM50129269
(CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
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)) | BDBM50129273
(CHEMBL3629744)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC21COP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21?,22-,32?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
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)) | BDBM50129269
(CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476438
(CHEMBL233298)Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H37ClFN3O4S/c30-23-10-12-27(13-11-23)39(36,37)34-26(8-5-9-28(34)22-6-4-7-24(31)20-22)21-38-29(35)33-18-14-25(15-19-33)32-16-2-1-3-17-32/h4,6-7,10-13,20,25-26,28H,1-3,5,8-9,14-19,21H2/t26-,28+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation |
Bioorg Med Chem Lett 17: 57-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477376
(CHEMBL393481)Show SMILES Fc1cc(F)cc(c1)C1CCCC(N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H37F4N3O4S/c32-22-15-21(16-23(33)17-22)28-5-4-6-29(38(28)43(40,41)27-19-24(34)18-25(35)20-27)31(9-10-31)42-30(39)37-13-7-26(8-14-37)36-11-2-1-3-12-36/h15-20,26,28-29H,1-14H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477385
(CHEMBL248068)Show SMILES O[C@@H]1CCN(C1)C1CC2CCC(C1)N2C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |TLB:4:6:13:9.10| Show InChI InChI=1S/C32H39ClFN3O5S/c33-22-7-11-28(12-8-22)43(40,41)37-29(21-3-1-4-23(34)17-21)5-2-6-30(37)32(14-15-32)42-31(39)36-24-9-10-25(36)19-26(18-24)35-16-13-27(38)20-35/h1,3-4,7-8,11-12,17,24-27,29-30,38H,2,5-6,9-10,13-16,18-20H2/t24?,25?,26?,27-,29?,30?/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477364
(CHEMBL393509)Show SMILES OC1(CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1)C1CC1 Show InChI InChI=1S/C29H34ClFN2O5S/c30-22-9-11-24(12-10-22)39(36,37)33-25(20-3-1-4-23(31)19-20)5-2-6-26(33)29(13-14-29)38-27(34)32-17-15-28(35,16-18-32)21-7-8-21/h1,3-4,9-12,19,21,25-26,35H,2,5-8,13-18H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476450
(CHEMBL233724)Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C29H36ClF2N3O4S/c30-22-7-9-27(10-8-22)40(37,38)35-26(5-4-6-28(35)21-17-23(31)19-24(32)18-21)20-39-29(36)34-15-11-25(12-16-34)33-13-2-1-3-14-33/h7-10,17-19,25-26,28H,1-6,11-16,20H2/t26-,28+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation |
Bioorg Med Chem Lett 17: 57-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477373
(CHEMBL412245)Show SMILES Fc1cc(F)cc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C31H38ClF2N3O4S/c32-23-9-11-27(12-10-23)42(39,40)37-28(22-19-24(33)21-25(34)20-22)7-4-8-29(37)31(13-14-31)41-30(38)36-17-15-35(16-18-36)26-5-2-1-3-6-26/h9-12,19-21,26,28-29H,1-8,13-18H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477367
(CHEMBL246243)Show SMILES CC(C)(OC(=O)N1CCC(CC1)N1CCCCC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C31H41ClFN3O4S/c1-31(2,40-30(37)35-20-16-26(17-21-35)34-18-4-3-5-19-34)29-11-7-10-28(23-8-6-9-25(33)22-23)36(29)41(38,39)27-14-12-24(32)13-15-27/h6,8-9,12-15,22,26,28-29H,3-5,7,10-11,16-21H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477380
(CHEMBL248067)Show SMILES CCCC1(O)CCN(CC1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C29H36ClFN2O5S/c1-2-13-28(35)16-18-32(19-17-28)27(34)38-29(14-15-29)26-8-4-7-25(21-5-3-6-23(31)20-21)33(26)39(36,37)24-11-9-22(30)10-12-24/h3,5-6,9-12,20,25-26,35H,2,4,7-8,13-19H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477366
(CHEMBL537890)Show SMILES Cl.Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C31H39ClFN3O4S.ClH/c32-24-10-12-27(13-11-24)41(38,39)36-28(23-6-4-7-25(33)22-23)8-5-9-29(36)31(16-17-31)40-30(37)35-20-14-26(15-21-35)34-18-2-1-3-19-34;/h4,6-7,10-13,22,26,28-29H,1-3,5,8-9,14-21H2;1H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
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)) | BDBM28986
(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;6.75,9.15,;7.16,6.09,;8.44,8.02,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)| Show InChI InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2/t14-,18+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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| Purchase
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PC cid
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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50129278
(CHEMBL3629742 | US9464103, (6aR,10aS)-10a-(4-chlor...)Show SMILES Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCSCC3 |r| Show InChI InChI=1S/C23H23ClF2O3S2/c24-15-2-4-16(5-3-15)31(27,28)23-9-1-8-22(10-12-30-13-11-22)19(23)14-29-21-18(26)7-6-17(25)20(21)23/h2-7,19H,1,8-14H2/t19-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
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)) | BDBM50129273
(CHEMBL3629744)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC21COP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21?,22-,32?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477365
(CHEMBL245414)Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)C1CCCC(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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477377
(CHEMBL248070)Show SMILES C[C@H]1CN(CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1)C(C)(CO)CO Show InChI InChI=1S/C30H39ClFN3O6S/c1-21-18-33(29(2,19-36)20-37)15-16-34(21)28(38)41-30(13-14-30)27-8-4-7-26(22-5-3-6-24(32)17-22)35(27)42(39,40)25-11-9-23(31)10-12-25/h3,5-6,9-12,17,21,26-27,36-37H,4,7-8,13-16,18-20H2,1-2H3/t21-,26?,27?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477361
(CHEMBL392213)Show SMILES CCC(CO)NC1CC2CCC(C1)N2C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |TLB:5:6:13:9.10| Show InChI InChI=1S/C32H41ClFN3O5S/c1-2-24(20-38)35-25-18-26-11-12-27(19-25)36(26)31(39)42-32(15-16-32)30-8-4-7-29(21-5-3-6-23(34)17-21)37(30)43(40,41)28-13-9-22(33)10-14-28/h3,5-6,9-10,13-14,17,24-27,29-30,35,38H,2,4,7-8,11-12,15-16,18-20H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477381
(CHEMBL248069)Show SMILES CC1CN(CC(C)N1)C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 Show InChI InChI=1S/C27H33ClFN3O4S/c1-18-16-31(17-19(2)30-18)26(33)36-27(13-14-27)25-8-4-7-24(20-5-3-6-22(29)15-20)32(25)37(34,35)23-11-9-21(28)10-12-23/h3,5-6,9-12,15,18-19,24-25,30H,4,7-8,13-14,16-17H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477382
(CHEMBL412244)Show SMILES CN1CN(C)C2(CCN(CC2)C(=O)OC2(CC2)C2CCCC(N2S(=O)(=O)c2ccc(Cl)cc2)c2cc(F)cc(F)c2)C1=O Show InChI InChI=1S/C30H35ClF2N4O5S/c1-34-19-35(2)29(27(34)38)12-14-36(15-13-29)28(39)42-30(10-11-30)26-5-3-4-25(20-16-22(32)18-23(33)17-20)37(26)43(40,41)24-8-6-21(31)7-9-24/h6-9,16-18,25-26H,3-5,10-15,19H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
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)) | BDBM50129274
(CHEMBL3629745)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cell membranes using SPC99-Lon as substrate assessed as formation of amyloid beta 40 after 1 hr by electroche... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477392
(CHEMBL247869)Show SMILES Fc1cccc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C31H37ClF3N3O4S/c32-23-7-9-26(10-8-23)43(40,41)38-27(22-3-1-4-24(33)21-22)5-2-6-28(38)30(13-14-30)42-29(39)37-17-11-25(12-18-37)36-19-15-31(34,35)16-20-36/h1,3-4,7-10,21,25,27-28H,2,5-6,11-20H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50477384
(CHEMBL248276)Show SMILES Fc1cc(F)cc(c1)C1CCCC(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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay |
Bioorg Med Chem Lett 17: 511-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.011
BindingDB Entry DOI: 10.7270/Q26W9DTK |
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)) | BDBM50129269
(CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte... |
J Med Chem 58: 8806-17 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00774
BindingDB Entry DOI: 10.7270/Q2HQ41R9 |
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Ligand-Target Pair | |
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