Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'riddell' and Initial = 'dr'   

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
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))	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
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))	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
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))	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))	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))	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
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))	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))	BDBM50078322 (CHEMBL3414710) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C1CC1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078321 (CHEMBL3414711 | US9260455, 7) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078324 (CHEMBL3414708 | US9260455, 8) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078349 (CHEMBL3414707 | US9260455, 3) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078323 (CHEMBL3414709) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078320 (CHEMBL3414700 | US9260455, 4) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485442 (CHEMBL2059013) 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,wD:6.6,1.28,(-7.4,-27.53,;-7.39,-29.08,;-7.38,-30.62,;-5.85,-30.61,;-4.5,-31.36,;-3.17,-30.59,;-1.8,-31.36,;-.47,-30.59,;.86,-31.36,;2.2,-30.58,;3.53,-31.35,;2.19,-29.04,;3.52,-29.8,;-1.8,-32.9,;-.47,-33.67,;-3.13,-33.67,;-3.18,-29.03,;-3.94,-27.7,;-4.72,-29.03,;-1.84,-28.28,;-1.81,-26.74,;-.46,-25.99,;.86,-26.78,;2.2,-26.03,;.84,-28.32,;-.51,-29.08,;-5.85,-29.08,;-8.47,-27.99,;-9.56,-26.91,)| 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	59	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))	BDBM142394 (US8933221, 4) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F |t:1| Show InChI InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485448 (CHEMBL2059817) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCCC#N)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H17ClF3N3O3S/c16-11-3-5-12(6-4-11)26(24,25)22(10-2-1-9-20)13(14(21)23)7-8-15(17,18)19/h3-6,13H,1-2,7-8,10H2,(H2,21,23)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	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))	BDBM50078321 (CHEMBL3414711 | US9260455, 7) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480807 (CHEMBL576553) Show SMILES CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C20H24ClN3O3S2/c1-3-15(4-2)20(23-29(26,27)19-10-9-18(21)28-19)17-11-12-22-24(17)13-14-5-7-16(25)8-6-14/h5-12,15,20,23,25H,3-4,13H2,1-2H3/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](S)-5-chloro-N-(3-ethyl-1-hydroxypentan-2-yl)thiophene-2-sulfonamide from gamma secretase in human SH-SY5Y cells after 1 hr				Bioorg Med Chem 17: 4708-17 (2009) Article DOI: 10.1016/j.bmc.2009.04.052 BindingDB Entry DOI: 10.7270/Q2VX0KB6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM142369 (US8933221, 10) Show SMILES NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F |r,t:1| Show InChI InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078322 (CHEMBL3414710) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C1CC1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078352 (CHEMBL3414705) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7| Show InChI InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078323 (CHEMBL3414709) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078320 (CHEMBL3414700 | US9260455, 4) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078349 (CHEMBL3414707 | US9260455, 3) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078324 (CHEMBL3414708 | US9260455, 8) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078351 (CHEMBL3414703) Show SMILES COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7| Show InChI InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM142394 (US8933221, 4) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F |t:1| Show InChI InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50078322 (CHEMBL3414710) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C1CC1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078350 (CHEMBL3414704) Show SMILES COC[C@@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7| Show InChI InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM142369 (US8933221, 10) Show SMILES NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F |r,t:1| Show InChI InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078352 (CHEMBL3414705) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7| Show InChI InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078351 (CHEMBL3414703) Show SMILES COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7| Show InChI InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50078321 (CHEMBL3414711 | US9260455, 7) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1	PDB MMDB NCI pathway 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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078353 (CHEMBL3414702) Show SMILES C[C@]1(CCSC(N)=N1)c1ccc(F)cc1F |r,c:6| Show InChI InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50078322 (CHEMBL3414710) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C1CC1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1	PDB MMDB NCI pathway 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	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50078323 (CHEMBL3414709) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1	PDB MMDB NCI pathway 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	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50078349 (CHEMBL3414707 | US9260455, 3) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1	PDB MMDB NCI pathway 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	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM142394 (US8933221, 4) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F |t:1| Show InChI InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair

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