Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'wong' and Initial = 'gt'   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50458169 (Avagacestat | BMS 708163 | BMS-708163 | BMS-708163...) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50492082 (CHEMBL2396959) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1c2cccc1Cl |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220297 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 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
Presenilin-1 (Homo sapiens (Human))	BDBM50492094 (CHEMBL2396964) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(n1)C(F)(F)F)c1c2c(F)ccc1F |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C18H11F5N4O2S/c19-9-4-5-10(20)16-15(9)12-6-11-8(7-24-26-11)17(16)27(12)30(28,29)14-3-1-2-13(25-14)18(21,22)23/h1-5,7,12,17H,6H2,(H,24,26)/t12-,17+/m1/s1	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492093 (CHEMBL2396778) Show SMILES Fc1cc2N([C@H](C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492085 (CHEMBL2396953) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1ccc(nc1)C(F)(F)F)c1c2cccc1F |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C18H12F4N4O2S/c19-12-3-1-2-10-14-6-13-11(8-24-25-13)17(16(10)12)26(14)29(27,28)9-4-5-15(23-7-9)18(20,21)22/h1-5,7-8,14,17H,6H2,(H,24,25)/t14-,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492083 (CHEMBL2396960) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1cc(Cl)ccc21 |r,THB:11:10:30.24:2.7.3| Show InChI InChI=1S/C19H13ClF3N3O2S/c20-11-4-5-13-14(7-11)18-15-9-24-25-16(15)8-17(13)26(18)29(27,28)12-3-1-2-10(6-12)19(21,22)23/h1-7,9,17-18H,8H2,(H,24,25)/t17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50492098 (CHEMBL2396963) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(n1)C(F)(F)F)c1cccc(F)c21 |r,THB:11:10:30.24:2.7.3| Show InChI InChI=1S/C18H12F4N4O2S/c19-11-4-1-3-9-16(11)13-7-12-10(8-23-25-12)17(9)26(13)29(27,28)15-6-2-5-14(24-15)18(20,21)22/h1-6,8,13,17H,7H2,(H,23,25)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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))	BDBM50492097 (CHEMBL2396965) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1cc(F)c(F)cc21 |r,THB:11:10:31.24:2.7.3| Show InChI InChI=1S/C19H12F5N3O2S/c20-14-5-11-12(6-15(14)21)18-13-8-25-26-16(13)7-17(11)27(18)30(28,29)10-3-1-2-9(4-10)19(22,23)24/h1-6,8,17-18H,7H2,(H,25,26)/t17-,18-/m1/s1	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50458169 (Avagacestat | BMS 708163 | BMS-708163 | BMS-708163...) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492084 (CHEMBL2396958) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc21 |r,THB:11:10:29.24:2.7.3| Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)11-4-3-5-12(8-11)28(26,27)25-17-9-16-15(10-23-24-16)18(25)14-7-2-1-6-13(14)17/h1-8,10,17-18H,9H2,(H,23,24)/t17-,18-/m1/s1	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492092 (CHEMBL2396961) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc21 |r,THB:11:10:30.24:2.7.3| Show InChI InChI=1S/C19H13ClF3N3O2S/c20-11-4-5-13-14(7-11)17-8-16-15(9-24-25-16)18(13)26(17)29(27,28)12-3-1-2-10(6-12)19(21,22)23/h1-7,9,17-18H,8H2,(H,24,25)/t17-,18-/m1/s1	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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
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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220270 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220288 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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 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
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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220271 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220277 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	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 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
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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220275 (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 |w:26.28,29.32,TLB:22:24:31:27.28| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220284 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220302 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
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))	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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220277 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	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 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
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))	BDBM50492095 (CHEMBL2396966) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(n1)C(F)(F)F)c1c2cccc1C1CC1 |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C21H17F3N4O2S/c22-21(23,24)17-5-2-6-18(26-17)31(29,30)28-16-9-15-14(10-25-27-15)20(28)19-12(11-7-8-11)3-1-4-13(16)19/h1-6,10-11,16,20H,7-9H2,(H,25,27)/t16-,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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))	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
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))	BDBM50492093 (CHEMBL2396778) Show SMILES Fc1cc2N([C@H](C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					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
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
Presenilin-1 (Homo sapiens (Human))	BDBM50477390 (CHEMBL394731) Show SMILES C[C@H]1CN(CC2CC2)CCN1C(=O)OC1(CC1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C30H36ClF2N3O4S/c1-20-18-34(19-21-5-6-21)13-14-35(20)29(37)40-30(11-12-30)28-4-2-3-27(22-15-24(32)17-25(33)16-22)36(28)41(38,39)26-9-7-23(31)8-10-26/h7-10,15-17,20-21,27-28H,2-6,11-14,18-19H2,1H3/t20-,27?,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50220291 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	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 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

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