Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'robshaw' and Initial = 'ae'   

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))	BDBM50485444 (CHEMBL2059813) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC12CC(C1)(C2)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClF3N4O4S/c20-12-1-3-13(4-2-12)32(29,30)27(14(15(24)28)5-6-19(21,22)23)10-17-7-18(8-17,9-17)16-25-11-31-26-16/h1-4,11,14H,5-10H2,(H2,24,28)/t14-,17?,18?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.178	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					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	0.225	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50485438 (CHEMBL2059021) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC12CC(C1)(C2)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClF3N3O3S/c19-12-1-3-13(4-2-12)29(27,28)25(11-17-7-16(8-17,9-17)10-23)14(15(24)26)5-6-18(20,21)22/h1-4,14H,5-9,11H2,(H2,24,26)/t14-,16?,17?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485443 (CHEMBL2059814) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H17ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h1-8,17H,9-10,12H2,(H2,25,27)/t17-/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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485431 (CHEMBL2059815) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H16ClF4N3O3S/c20-14-3-5-15(6-4-14)31(29,30)27(17(18(26)28)7-8-19(22,23)24)11-13-2-1-12(10-25)9-16(13)21/h1-6,9,17H,7-8,11H2,(H2,26,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485434 (CHEMBL2059016) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CC[C@@H](CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:15.18,wD:3.3,12.11,(.6,-42.56,;-.73,-41.8,;-2.06,-42.57,;-.74,-40.26,;.59,-39.49,;1.93,-40.26,;3.25,-39.49,;4.59,-40.26,;3.26,-37.95,;4.59,-38.71,;-2.1,-39.49,;-3.43,-40.27,;-4.77,-39.51,;-4.79,-37.97,;-6.12,-37.21,;-7.46,-37.99,;-7.44,-39.53,;-6.1,-40.3,;-8.79,-37.23,;-10.14,-36.47,;-2.1,-37.94,;-2.87,-36.61,;-3.64,-37.94,;-.77,-37.18,;-.74,-35.65,;.6,-34.9,;1.92,-35.69,;3.26,-34.94,;1.9,-37.22,;.56,-37.98,)| Show InChI InChI=1S/C19H23ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h5-8,13-14,17H,1-4,9-10,12H2,(H2,25,27)/t13-,14-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485434 (CHEMBL2059016) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CC[C@@H](CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:15.18,wD:3.3,12.11,(.6,-42.56,;-.73,-41.8,;-2.06,-42.57,;-.74,-40.26,;.59,-39.49,;1.93,-40.26,;3.25,-39.49,;4.59,-40.26,;3.26,-37.95,;4.59,-38.71,;-2.1,-39.49,;-3.43,-40.27,;-4.77,-39.51,;-4.79,-37.97,;-6.12,-37.21,;-7.46,-37.99,;-7.44,-39.53,;-6.1,-40.3,;-8.79,-37.23,;-10.14,-36.47,;-2.1,-37.94,;-2.87,-36.61,;-3.64,-37.94,;-.77,-37.18,;-.74,-35.65,;.6,-34.9,;1.92,-35.69,;3.26,-34.94,;1.9,-37.22,;.56,-37.98,)| Show InChI InChI=1S/C19H23ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h5-8,13-14,17H,1-4,9-10,12H2,(H2,25,27)/t13-,14-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081645 (CHEMBL3422237) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081646 (CHEMBL3422236) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-6-23-15(21-9)14-4-10-7-25-16(20)22-17(10,8-24-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM41536 (US8865706, 15) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13| Show InChI InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485436 (CHEMBL2059011) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@H](C1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.11,14.16,wD:3.3,(15.21,-23.48,;13.88,-22.71,;12.55,-23.48,;13.88,-21.17,;15.21,-20.4,;16.54,-21.17,;17.88,-20.4,;19.21,-21.16,;17.87,-18.86,;19.2,-19.62,;12.51,-20.4,;11.18,-21.18,;9.83,-20.42,;8.3,-20.43,;8.29,-18.89,;9.83,-18.89,;7.21,-17.8,;6.12,-16.72,;12.5,-18.85,;11.74,-17.51,;10.96,-18.84,;13.84,-18.09,;13.87,-16.55,;15.22,-15.8,;16.54,-16.59,;17.88,-15.84,;16.52,-18.13,;15.17,-18.89,)| Show InChI InChI=1S/C17H19ClF3N3O3S/c18-13-1-3-14(4-2-13)28(26,27)24(10-12-7-11(8-12)9-22)15(16(23)25)5-6-17(19,20)21/h1-4,11-12,15H,5-8,10H2,(H2,23,25)/t11-,12+,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484476 (CHEMBL1916325) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O5S/c17-11-1-3-13(4-2-11)28(24,25)22(9-12-10-26-7-8-27-12)14(15(21)23)5-6-16(18,19)20/h1-4,12,14H,5-10H2,(H2,21,23)/t12-,14-/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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484472 (CHEMBL1916327) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c17-11-3-5-13(6-4-11)27(24,25)22(10-12-2-1-9-26-12)14(15(21)23)7-8-16(18,19)20/h3-6,12,14H,1-2,7-10H2,(H2,21,23)/t12-,14-/m1/s1	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM148176 (US8962616, 22 | US8962616, 4) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136570 (US8865706, 9) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484455 (CHEMBL1916335) Show SMILES C[C@@H]1C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c1-10-8-12(26-10)9-22(14(15(21)23)6-7-16(18,19)20)27(24,25)13-4-2-11(17)3-5-13/h2-5,10,12,14H,6-9H2,1H3,(H2,21,23)/t10-,12+,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485447 (CHEMBL2059819) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@@H]1C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H17ClF3N3O3S/c17-12-1-3-13(4-2-12)27(25,26)23(9-11-7-10(11)8-21)14(15(22)24)5-6-16(18,19)20/h1-4,10-11,14H,5-7,9H2,(H2,22,24)/t10-,11-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136583 (US8865706, 22) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H19F3N4OS/c1-25-8-10(7-23-25)15-5-13-16(6-19)27-17(22)24-18(13,9-26-15)12-3-2-11(20)4-14(12)21/h2-4,7-8,13,15-16H,5-6,9H2,1H3,(H2,22,24)/t13-,15+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484467 (CHEMBL1916326) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1COCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O5S/c17-11-1-3-13(4-2-11)28(24,25)22(9-12-10-26-7-8-27-12)14(15(21)23)5-6-16(18,19)20/h1-4,12,14H,5-10H2,(H2,21,23)/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485435 (CHEMBL2059014) Show SMILES C[C@]1(C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1)C#N |r,wU:3.3,1.28,wD:6.6,(7.47,-26.36,;7.49,-27.9,;7.49,-29.44,;9.02,-29.44,;10.37,-30.19,;11.7,-29.41,;13.07,-30.19,;14.4,-29.41,;15.73,-30.18,;17.07,-29.41,;18.4,-30.18,;17.06,-27.87,;18.39,-28.63,;13.07,-31.73,;14.4,-32.49,;11.74,-32.5,;11.7,-27.86,;10.93,-26.53,;10.16,-27.86,;13.03,-27.1,;13.06,-25.57,;14.41,-24.82,;15.73,-25.61,;17.07,-24.85,;15.71,-27.14,;14.36,-27.9,;9.03,-27.9,;6.4,-26.81,;5.31,-25.73,)| Show InChI InChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12-,15-,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484465 (CHEMBL1916331) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H18ClF3N2O4S/c16-10-1-3-12(4-2-10)26(23,24)21(9-11-6-8-25-11)13(14(20)22)5-7-15(17,18)19/h1-4,11,13H,5-9H2,(H2,20,22)/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484460 (CHEMBL1916320) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c18-12-4-6-14(7-5-12)28(25,26)23(11-13-3-1-2-10-27-13)15(16(22)24)8-9-17(19,20)21/h4-7,13,15H,1-3,8-11H2,(H2,22,24)/t13-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484474 (CHEMBL1916324) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c18-13-1-3-14(4-2-13)28(25,26)23(11-12-6-9-27-10-7-12)15(16(22)24)5-8-17(19,20)21/h1-4,12,15H,5-11H2,(H2,22,24)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485446 (CHEMBL2059015) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1(CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H17ClF3N3O3S/c17-11-1-3-12(4-2-11)27(25,26)23(10-15(9-21)7-8-15)13(14(22)24)5-6-16(18,19)20/h1-4,13H,5-8,10H2,(H2,22,24)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081642 (CHEMBL3422244) Show SMILES [H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-7-25-16(23-9)14-5-12-15(6-19)27-17(22)24-18(12,8-26-14)11-3-2-10(20)4-13(11)21/h2-4,7,12,14-15H,5-6,8H2,1H3,(H2,22,24)/t12-,14+,15+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484454 (CHEMBL1916334) Show SMILES C[C@H]1C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c1-10-8-12(26-10)9-22(14(15(21)23)6-7-16(18,19)20)27(24,25)13-4-2-11(17)3-5-13/h2-5,10,12,14H,6-9H2,1H3,(H2,21,23)/t10-,12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485445 (CHEMBL2059818) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCCCC#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H19ClF3N3O3S/c17-12-4-6-13(7-5-12)27(25,26)23(11-3-1-2-10-21)14(15(22)24)8-9-16(18,19)20/h4-7,14H,1-3,8-9,11H2,(H2,22,24)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484464 (CHEMBL1916330) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c17-12-1-3-13(4-2-12)27(24,25)22(9-11-6-8-26-10-11)14(15(21)23)5-7-16(18,19)20/h1-4,11,14H,5-10H2,(H2,21,23)/t11-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484458 (CHEMBL1916317) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H24ClF3N2O3S/c19-14-6-8-15(9-7-14)28(26,27)24(12-13-4-2-1-3-5-13)16(17(23)25)10-11-18(20,21)22/h6-9,13,16H,1-5,10-12H2,(H2,23,25)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485440 (CHEMBL2059020) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@H](C1)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.11,14.16,wD:3.3,(30.85,-51.97,;29.51,-51.2,;28.18,-51.97,;29.51,-49.66,;30.84,-48.89,;32.18,-49.66,;33.51,-48.89,;34.84,-49.65,;33.51,-47.35,;34.84,-48.11,;28.14,-48.89,;26.81,-49.67,;25.47,-48.91,;23.93,-48.92,;23.93,-47.38,;25.47,-47.38,;22.84,-46.29,;21.31,-46.53,;20.61,-45.16,;21.7,-44.07,;23.07,-44.77,;28.14,-47.34,;27.37,-46,;26.6,-47.33,;29.47,-46.58,;29.5,-45.04,;30.85,-44.29,;32.17,-45.08,;33.51,-44.33,;32.15,-46.62,;30.8,-47.38,)| Show InChI InChI=1S/C18H20ClF3N4O4S/c19-13-1-3-14(4-2-13)31(28,29)26(15(16(23)27)5-6-18(20,21)22)9-11-7-12(8-11)17-24-10-30-25-17/h1-4,10-12,15H,5-9H2,(H2,23,27)/t11-,12+,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484470 (CHEMBL1916319) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O3S/c17-12-4-6-13(7-5-12)26(24,25)22(10-11-2-1-3-11)14(15(21)23)8-9-16(18,19)20/h4-7,11,14H,1-3,8-10H2,(H2,21,23)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485433 (CHEMBL2059018) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H18ClF3N4O4S/c17-11-3-5-12(6-4-11)29(26,27)24(9-1-2-14-22-10-28-23-14)13(15(21)25)7-8-16(18,19)20/h3-6,10,13H,1-2,7-9H2,(H2,21,25)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484475 (CHEMBL1916329) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c17-12-1-3-13(4-2-12)27(24,25)22(9-11-6-8-26-10-11)14(15(21)23)5-7-16(18,19)20/h1-4,11,14H,5-10H2,(H2,21,23)/t11-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485437 (CHEMBL2059820) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1C[C@H]1C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H17ClF3N3O3S/c17-12-1-3-13(4-2-12)27(25,26)23(9-11-7-10(11)8-21)14(15(22)24)5-6-16(18,19)20/h1-4,10-11,14H,5-7,9H2,(H2,22,24)/t10-,11-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136574 (US8865706, 13) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484466 (CHEMBL1916332) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H18ClF3N2O4S/c16-10-1-3-12(4-2-10)26(23,24)21(9-11-6-8-25-11)13(14(20)22)5-7-15(17,18)19/h1-4,11,13H,5-9H2,(H2,20,22)/t11-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485439 (CHEMBL2059012) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1C[C@@H](C1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.11,wD:3.3,14.16,(30.15,-23.84,;28.82,-23.07,;27.49,-23.84,;28.82,-21.53,;30.15,-20.76,;31.48,-21.52,;32.82,-20.75,;34.15,-21.52,;32.81,-19.21,;34.14,-19.97,;27.45,-20.76,;26.12,-21.53,;24.77,-20.78,;23.24,-20.79,;23.24,-19.25,;24.78,-19.25,;22.15,-18.16,;21.06,-17.08,;27.45,-19.2,;26.68,-17.87,;25.91,-19.2,;28.78,-18.45,;28.81,-16.91,;30.16,-16.16,;31.48,-16.95,;32.82,-16.2,;31.46,-18.49,;30.11,-19.25,)| Show InChI InChI=1S/C17H19ClF3N3O3S/c18-13-1-3-14(4-2-13)28(26,27)24(10-12-7-11(8-12)9-22)15(16(23)25)5-6-17(19,20)21/h1-4,11-12,15H,5-8,10H2,(H2,23,25)/t11-,12-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484468 (CHEMBL1916337) Show SMILES CC1(C)C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c1-16(2)9-12(27-16)10-23(14(15(22)24)7-8-17(19,20)21)28(25,26)13-5-3-11(18)4-6-13/h3-6,12,14H,7-10H2,1-2H3,(H2,22,24)/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484473 (CHEMBL1916333) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1COC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H18ClF3N2O4S/c16-11-1-3-12(4-2-11)26(23,24)21(7-10-8-25-9-10)13(14(20)22)5-6-15(17,18)19/h1-4,10,13H,5-9H2,(H2,20,22)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484459 (CHEMBL1916318) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O3S/c18-13-5-7-14(8-6-13)27(25,26)23(11-12-3-1-2-4-12)15(16(22)24)9-10-17(19,20)21/h5-8,12,15H,1-4,9-11H2,(H2,22,24)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485430 (CHEMBL2059816) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCC#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C14H15ClF3N3O3S/c15-10-2-4-11(5-3-10)25(23,24)21(9-1-8-19)12(13(20)22)6-7-14(16,17)18/h2-5,12H,1,6-7,9H2,(H2,20,22)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485441 (CHEMBL2059017) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H16ClF3N4O4S/c16-10-1-3-11(4-2-10)28(25,26)23(8-6-13-21-9-27-22-13)12(14(20)24)5-7-15(17,18)19/h1-4,9,12H,5-8H2,(H2,20,24)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM148173 (US8962616, 1) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1| Show InChI InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484461 (CHEMBL1916321) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c18-12-4-6-14(7-5-12)28(25,26)23(11-13-3-1-2-10-27-13)15(16(22)24)8-9-17(19,20)21/h4-7,13,15H,1-3,8-11H2,(H2,22,24)/t13-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484462 (CHEMBL1916322) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c18-13-3-5-14(6-4-13)28(25,26)23(10-12-2-1-9-27-11-12)15(16(22)24)7-8-17(19,20)21/h3-6,12,15H,1-2,7-11H2,(H2,22,24)/t12-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484471 (CHEMBL1916323) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClF3N2O4S/c18-13-3-5-14(6-4-13)28(25,26)23(10-12-2-1-9-27-11-12)15(16(22)24)7-8-17(19,20)21/h3-6,12,15H,1-2,7-11H2,(H2,22,24)/t12-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484463 (CHEMBL1916328) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClF3N2O4S/c17-11-3-5-13(6-4-11)27(24,25)22(10-12-2-1-9-26-12)14(15(21)23)7-8-16(18,19)20/h3-6,12,14H,1-2,7-10H2,(H2,21,23)/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 pro...				J Med Chem 54: 7772-83 (2011) Article DOI: 10.1021/jm200893p BindingDB Entry DOI: 10.7270/Q2JW8HQ6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485432 (CHEMBL2059019) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC1(CC1)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClF3N4O4S/c18-11-1-3-12(4-2-11)30(27,28)25(13(14(22)26)5-6-17(19,20)21)9-16(7-8-16)15-23-10-29-24-15/h1-4,10,13H,5-9H2,(H2,22,26)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
					More data for this Ligand-Target Pair

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