Compile Data Set for Download or QSAR

Found 2621 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1'   

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))	BDBM50575178 (CHEMBL4853450) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Noncompetitive inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using varying level ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01395 BindingDB Entry DOI: 10.7270/Q2HX1HGF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50575197 (CHEMBL4868549) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)NCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Noncompetitive inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using varying level ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01395 BindingDB Entry DOI: 10.7270/Q2HX1HGF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476859 (CHEMBL232938) Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O4/c1-16(2)15-21(30)27-24(32)26(13-8-14-26)25(33)28-22-19-11-5-4-9-17(19)18-10-6-7-12-20(18)29(3)23(22)31/h4-7,9-12,16,21-22,30H,8,13-15H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476878 (CHEMBL399204) Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H29F3N4O4/c1-15(2)22(35)33-25(38)26(13-6-14-26)24(37)32-21-23(36)34(3)19-8-5-4-7-18(19)20(31-21)16-9-11-17(12-10-16)27(28,29)30/h4-5,7-12,15,21-22,35H,6,13-14H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476861 (CHEMBL401044) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)15-31-24(36)26(13-6-14-26)25(37)33-22-23(35)34(3)20-8-5-4-7-19(20)21(32-22)17-9-11-18(12-10-17)27(28,29)30/h4-5,7-12,16,22H,6,13-15H2,1-3H3,(H,31,36)(H,33,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50575187 (CHEMBL4848116) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Noncompetitive inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using varying level ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01395 BindingDB Entry DOI: 10.7270/Q2HX1HGF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476880 (CHEMBL450279) Show SMILES CN1c2ccccc2-c2ccccc2[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O Show InChI InChI=1S/C28H33N3O3/c1-31-23-14-7-6-12-21(23)20-11-4-5-13-22(20)24(25(31)32)30-27(34)28(16-8-17-28)26(33)29-18-15-19-9-2-3-10-19/h4-7,11-14,19,24H,2-3,8-10,15-18H2,1H3,(H,29,33)(H,30,34)/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476871 (CHEMBL232182) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-26-23(30)25(13-8-14-25)24(31)27-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)28(3)22(21)29/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476864 (CHEMBL429438) Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)16-32-25(37)27(14-6-7-15-27)26(38)34-23-24(36)35(3)21-9-5-4-8-20(21)22(33-23)18-10-12-19(13-11-18)28(29,30)31/h4-5,8-13,17,23H,6-7,14-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476860 (CHEMBL232936) Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:18| Show InChI InChI=1S/C28H31F3N4O4/c1-16(2)15-21(36)32-25(38)27(13-6-14-27)26(39)34-23-24(37)35(3)20-8-5-4-7-19(20)22(33-23)17-9-11-18(12-10-17)28(29,30)31/h4-5,7-12,16,21,23,36H,6,13-15H2,1-3H3,(H,32,38)(H,34,39)/t21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476870 (CHEMBL232346) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O3/c1-37-23-10-5-4-9-22(23)24(20-11-13-21(14-12-20)30(31,32)33)35-25(26(37)38)36-28(40)29(16-6-17-29)27(39)34-18-15-19-7-2-3-8-19/h4-5,9-14,19,25H,2-3,6-8,15-18H2,1H3,(H,34,39)(H,36,40)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50575179 (CHEMBL4851959) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Noncompetitive inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using varying level ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01395 BindingDB Entry DOI: 10.7270/Q2HX1HGF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM209909 (US9273014, Comparative Compound 45 | US9427442, Co...) Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:13| Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476872 (CHEMBL401045) Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O3/c1-17(2)16-27-24(31)26(14-8-9-15-26)25(32)28-22-20-12-5-4-10-18(20)19-11-6-7-13-21(19)29(3)23(22)30/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476865 (CHEMBL392265) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476857 (CHEMBL449960) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-27-24(32)26(14-9-15-26)25(33)29-22-23(31)30(3)20-13-8-7-12-19(20)21(28-22)18-10-5-4-6-11-18/h4-8,10-13,17,22H,9,14-16H2,1-3H3,(H,27,32)(H,29,33)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476862 (CHEMBL232739) Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C25H29N3O4/c1-15(2)21(29)27-24(32)25(13-8-14-25)23(31)26-20-18-11-5-4-9-16(18)17-10-6-7-12-19(17)28(3)22(20)30/h4-7,9-12,15,20-21,29H,8,13-14H2,1-3H3,(H,26,31)(H,27,32)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476856 (CHEMBL232138) Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-16-27-24(31)26(14-8-15-26)25(32)28-22-20-11-5-4-9-18(20)19-10-6-7-12-21(19)29(3)23(22)30/h4-7,9-12,17,22H,8,13-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476866 (CHEMBL231941) Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)13-16-32-25(37)27(14-6-15-27)26(38)34-23-24(36)35(3)21-8-5-4-7-20(21)22(33-23)18-9-11-19(12-10-18)28(29,30)31/h4-5,7-12,17,23H,6,13-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476875 (CHEMBL232183) Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-28-25(33)27(15-9-10-16-27)26(34)30-23-24(32)31(3)21-14-8-7-13-20(21)22(29-23)19-11-5-4-6-12-19/h4-8,11-14,18,23H,9-10,15-17H2,1-3H3,(H,28,33)(H,30,34)/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476879 (CHEMBL233172) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C30H28F2N4O3/c1-36-24-12-6-5-11-23(24)25(20-9-3-2-4-10-20)34-26(27(36)37)35-29(39)30(13-7-8-14-30)28(38)33-18-19-15-21(31)17-22(32)16-19/h2-6,9-12,15-17,26H,7-8,13-14,18H2,1H3,(H,33,38)(H,35,39)/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476873 (CHEMBL231984) Show SMILES CCCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C26H30N4O3/c1-3-4-17-27-24(32)26(15-10-16-26)25(33)29-22-23(31)30(2)20-14-9-8-13-19(20)21(28-22)18-11-6-5-7-12-18/h5-9,11-14,22H,3-4,10,15-17H2,1-2H3,(H,27,32)(H,29,33)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476858 (CHEMBL231725) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C29H26F2N4O3/c1-35-23-11-6-5-10-22(23)24(19-8-3-2-4-9-19)33-25(26(35)36)34-28(38)29(12-7-13-29)27(37)32-17-18-14-20(30)16-21(31)15-18/h2-6,8-11,14-16,25H,7,12-13,17H2,1H3,(H,32,37)(H,34,38)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476876 (CHEMBL399819) Show SMILES CCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:15| Show InChI InChI=1S/C25H28N4O3/c1-3-16-26-23(31)25(14-9-15-25)24(32)28-21-22(30)29(2)19-13-8-7-12-18(19)20(27-21)17-10-5-4-6-11-17/h4-8,10-13,21H,3,9,14-16H2,1-2H3,(H,26,31)(H,28,32)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476868 (CHEMBL232367) Show SMILES CC(C)CC(F)(F)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H29F2N3O3/c1-16(2)15-26(27,28)30-24(34)25(13-8-14-25)23(33)29-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)31(3)22(21)32/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,29,33)(H,30,34)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476869 (CHEMBL232968) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCCC2CCCC2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C30H36N4O3/c1-34-24-16-8-7-15-23(24)25(22-13-3-2-4-14-22)32-26(27(34)35)33-29(37)30(18-9-10-19-30)28(36)31-20-17-21-11-5-6-12-21/h2-4,7-8,13-16,21,26H,5-6,9-12,17-20H2,1H3,(H,31,36)(H,33,37)/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476874 (CHEMBL393520) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCc2cccs2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C28H28N4O3S/c1-32-22-14-6-5-13-21(22)23(19-10-3-2-4-11-19)30-24(25(32)33)31-27(35)28(15-7-8-16-28)26(34)29-18-20-12-9-17-36-20/h2-6,9-14,17,24H,7-8,15-16,18H2,1H3,(H,29,34)(H,31,35)/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476863 (CHEMBL273493) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476877 (CHEMBL398379) Show SMILES CCCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:15| Show InChI InChI=1S/C26H32N4O3/c1-5-17-27-24(32)26(6-2,7-3)25(33)29-22-23(31)30(4)20-16-12-11-15-19(20)21(28-22)18-13-9-8-10-14-18/h8-16,22H,5-7,17H2,1-4H3,(H,27,32)(H,29,33)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476867 (CHEMBL401434) Show SMILES CCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:14| Show InChI InChI=1S/C25H30N4O3/c1-5-25(6-2,23(31)26-7-3)24(32)28-21-22(30)29(4)19-16-12-11-15-18(19)20(27-21)17-13-9-8-10-14-17/h8-16,21H,5-7H2,1-4H3,(H,26,31)(H,28,32)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477148 (CHEMBL235870) Show SMILES CC(OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O4/c1-12(34-20(33)28-11-21(23,24)22(25,26)27)18(31)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)19(17)32/h3-10,12,17H,11H2,1-2H3,(H,28,33)(H,29,31)/t12?,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477143 (CHEMBL392113) Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477136 (CHEMBL235659) Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477131 (CHEMBL235869) Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480056 (CHEMBL468083) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(F)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24F4N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477131 (CHEMBL235869) Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477136 (CHEMBL235659) Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0420	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477060 (CHEMBL393761) Show SMILES CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)O Show InChI InChI=1S/C25H35F2N3O3S/c1-5-7-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-6-11-25(3,4)33/h12-16,20,33H,5-11H2,1-4H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480057 (CHEMBL523832) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)cc3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480052 (CHEMBL467457) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)c(F)c3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(17-4-7-21(27)22(28)11-17)12-23(32-34)16-3-2-15-9-19-5-6-20(10-18(15)8-16)25(19)13-35(14-26(29,30)31)38(36,37)33-25/h2-4,7-8,11-12,19-20,33H,5-6,9-10,13-14H2,1H3/t19-,20+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480051 (CHEMBL512282) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)cc3F)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(21-7-6-20(27)11-22(21)28)12-23(32-34)16-3-2-15-9-18-4-5-19(10-17(15)8-16)25(18)13-35(14-26(29,30)31)38(36,37)33-25/h2-3,6-8,11-12,18-19,33H,4-5,9-10,13-14H2,1H3/t18-,19+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480058 (CHEMBL495009) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(F)cc1F)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H23F5N4O2S/c26-20-5-6-23(21(27)10-20)33-11-22(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480062 (CHEMBL511572) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(Cl)cc3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H26ClF3N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477143 (CHEMBL392113) Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477067 (CHEMBL237875) Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480065 (CHEMBL495185) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24ClF3N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50241259 ((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O |r| Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of gamma secretase in HEK293 cells expressing APP 695 assessed as reduction in amyloid beta levels after 5 hrs by Western blot analysis				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50241259 ((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O |r| Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of gamma secretase in HEK293 cells assessed as reduction in amyloid beta40 level incubated for 4 hrs by electrochemiluminescence detection...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477134 (CHEMBL393542) Show SMILES CC(C(=O)NCC1CC1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C23H25N3O3/c1-14(21(27)24-13-15-11-12-15)22(28)25-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)26(2)23(20)29/h3-10,14-15,20H,11-13H2,1-2H3,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477038 (CHEMBL237850) Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair

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