Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'finley' and Initial = 'j'   

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
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate |...) Show SMILES [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against B/Lee/40 Influenza B Neuraminidase.				J Med Chem 42: 2332-43 (1999) Article DOI: 10.1021/jm980707k BindingDB Entry DOI: 10.7270/Q25B01NJ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483746 (CHEMBL1770758) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(CC)CC |r| Show InChI InChI=1S/C21H28F2N4O2/c1-4-7-18(25-20(28)10-14-8-15(22)11-16(23)9-14)21(29)26-19-12-27(13-24-19)17(5-2)6-3/h8-9,11-13,17-18H,4-7,10H2,1-3H3,(H,25,28)(H,26,29)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483760 (CHEMBL1770893) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r| Show InChI InChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483742 (CHEMBL1770898) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r| Show InChI InChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483743 (CHEMBL1770899) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC1CCOCC1 |r| Show InChI InChI=1S/C26H37F2N5O3/c1-4-5-22(31-24(34)12-19-10-20(27)13-21(28)11-19)25(35)32-23-15-33(17-30-23)26(2,3)16-29-14-18-6-8-36-9-7-18/h10-11,13,15,17-18,22,29H,4-9,12,14,16H2,1-3H3,(H,31,34)(H,32,35)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483743 (CHEMBL1770899) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC1CCOCC1 |r| Show InChI InChI=1S/C26H37F2N5O3/c1-4-5-22(31-24(34)12-19-10-20(27)13-21(28)11-19)25(35)32-23-15-33(17-30-23)26(2,3)16-29-14-18-6-8-36-9-7-18/h10-11,13,15,17-18,22,29H,4-9,12,14,16H2,1-3H3,(H,31,34)(H,32,35)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483760 (CHEMBL1770893) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r| Show InChI InChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483756 (CHEMBL1770885) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C24H33F2N5O2/c1-4-7-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-8-5-6-9-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483756 (CHEMBL1770885) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C24H33F2N5O2/c1-4-7-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-8-5-6-9-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM5266 ((2S,3S,4R)-4-carbamimidamido-2-(dipropylcarbamoyl)...) Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6@H]-1-[#8]-[#6](=[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:11| Show InChI InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483742 (CHEMBL1770898) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r| Show InChI InChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50458159 (Nirogacestat | PF 03084014 | PF 3084014 | PF-03084...) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r| Show InChI InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483759 (CHEMBL1770760) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CC(=O)OC |r| Show InChI InChI=1S/C22H28F2N4O4/c1-5-6-17(26-19(29)9-14-7-15(23)10-16(24)8-14)21(31)27-18-12-28(13-25-18)22(2,3)11-20(30)32-4/h7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,26,29)(H,27,31)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483759 (CHEMBL1770760) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CC(=O)OC |r| Show InChI InChI=1S/C22H28F2N4O4/c1-5-6-17(26-19(29)9-14-7-15(23)10-16(24)8-14)21(31)27-18-12-28(13-25-18)22(2,3)11-20(30)32-4/h7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,26,29)(H,27,31)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483753 (CHEMBL1770897) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCc1ccccc1 |r| Show InChI InChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483746 (CHEMBL1770758) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(CC)CC |r| Show InChI InChI=1S/C21H28F2N4O2/c1-4-7-18(25-20(28)10-14-8-15(22)11-16(23)9-14)21(29)26-19-12-27(13-24-19)17(5-2)6-3/h8-9,11-13,17-18H,4-7,10H2,1-3H3,(H,25,28)(H,26,29)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483755 (CHEMBL1770761) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CO |r| Show InChI InChI=1S/C20H26F2N4O3/c1-4-5-16(24-18(28)8-13-6-14(21)9-15(22)7-13)19(29)25-17-10-26(12-23-17)20(2,3)11-27/h6-7,9-10,12,16,27H,4-5,8,11H2,1-3H3,(H,24,28)(H,25,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483736 (CHEMBL1770888) Show SMILES CC[C@@H](C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C25H35F2N5O2/c1-5-17(2)23(30-22(33)12-18-10-19(26)13-20(27)11-18)24(34)29-21-14-32(16-28-21)25(3,4)15-31-8-6-7-9-31/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,29,34)(H,30,33)/t17-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483754 (CHEMBL1770759) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r| Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483770 (CHEMBL1770911) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483753 (CHEMBL1770897) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCc1ccccc1 |r| Show InChI InChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483775 (CHEMBL1770912) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCCC1 |r| Show InChI InChI=1S/C27H39F2N5O/c1-4-8-24(31-21-10-9-19-13-20(28)14-23(29)22(19)15-21)26(35)32-25-16-34(18-30-25)27(2,3)17-33-11-6-5-7-12-33/h13-14,16,18,21,24,31H,4-12,15,17H2,1-3H3,(H,32,35)/t21-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483747 (CHEMBL1770883) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CCO |r| Show InChI InChI=1S/C21H28F2N4O3/c1-4-5-17(25-19(29)10-14-8-15(22)11-16(23)9-14)20(30)26-18-12-27(13-24-18)21(2,3)6-7-28/h8-9,11-13,17,28H,4-7,10H2,1-3H3,(H,25,29)(H,26,30)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483752 (CHEMBL1770159) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r| Show InChI InChI=1S/C22H31F2N5O2/c1-6-7-18(26-20(30)10-15-8-16(23)11-17(24)9-15)21(31)27-19-12-29(14-25-19)22(2,3)13-28(4)5/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,26,30)(H,27,31)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5265 ((2S,3S,4R)-4-carbamimidamido-3-acetamido-2-[(1R,2S...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]=[#6](-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483765 (CHEMBL1770910) Show SMILES CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483750 (CHEMBL1770887) Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C25H35F2N5O2/c1-17(2)9-21(29-23(33)12-18-10-19(26)13-20(27)11-18)24(34)30-22-14-32(16-28-22)25(3,4)15-31-7-5-6-8-31/h10-11,13-14,16-17,21H,5-9,12,15H2,1-4H3,(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	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483771 (CHEMBL1770914) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r| Show InChI InChI=1S/C24H35F2N5O/c1-6-7-21(28-18-9-8-16-10-17(25)11-20(26)19(16)12-18)23(32)29-22-13-31(15-27-22)24(2,3)14-30(4)5/h10-11,13,15,18,21,28H,6-9,12,14H2,1-5H3,(H,29,32)/t18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483752 (CHEMBL1770159) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r| Show InChI InChI=1S/C22H31F2N5O2/c1-6-7-18(26-20(30)10-15-8-16(23)11-17(24)9-15)21(31)27-19-12-29(14-25-19)22(2,3)13-28(4)5/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,26,30)(H,27,31)/t18-/m0/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 in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483773 (CHEMBL1770917) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(F)(F)F |r| Show InChI InChI=1S/C24H32F5N5O/c1-4-5-20(32-17-7-6-15-8-16(25)9-19(26)18(15)10-17)22(35)33-21-11-34(14-31-21)23(2,3)12-30-13-24(27,28)29/h8-9,11,14,17,20,30,32H,4-7,10,12-13H2,1-3H3,(H,33,35)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM5265 ((2S,3S,4R)-4-carbamimidamido-3-acetamido-2-[(1R,2S...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]=[#6](-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9-,10+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483754 (CHEMBL1770759) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r| Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483765 (CHEMBL1770910) Show SMILES CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483772 (CHEMBL1770915) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r| Show InChI InChI=1S/C26H37F2N5O2/c1-4-5-23(30-20-7-6-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-8-10-35-11-9-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20-,23-/m0/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 in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483750 (CHEMBL1770887) Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C25H35F2N5O2/c1-17(2)9-21(29-23(33)12-18-10-19(26)13-20(27)11-18)24(34)30-22-14-32(16-28-22)25(3,4)15-31-7-5-6-8-31/h10-11,13-14,16-17,21H,5-9,12,15H2,1-4H3,(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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483749 (CHEMBL1770886) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C22H29F2N5O2/c1-15(26-20(30)10-16-8-17(23)11-18(24)9-16)21(31)27-19-12-29(14-25-19)22(2,3)13-28-6-4-5-7-28/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483740 (CHEMBL1770895) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNC(C)C |r| Show InChI InChI=1S/C23H33F2N5O2/c1-6-7-19(28-21(31)10-16-8-17(24)11-18(25)9-16)22(32)29-20-12-30(14-27-20)23(4,5)13-26-15(2)3/h8-9,11-12,14-15,19,26H,6-7,10,13H2,1-5H3,(H,28,31)(H,29,32)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483738 (CHEMBL1770891) Show SMILES COC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C23H31F2N5O3/c1-23(2,14-29-6-4-5-7-29)30-12-20(26-15-30)28-22(32)19(13-33-3)27-21(31)10-16-8-17(24)11-18(25)9-16/h8-9,11-12,15,19H,4-7,10,13-14H2,1-3H3,(H,27,31)(H,28,32)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483764 (CHEMBL1770907) Show SMILES CCC[C@H](NC1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H38ClN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483748 (CHEMBL1770884) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CCN1CCCC1 |r| Show InChI InChI=1S/C25H35F2N5O2/c1-4-7-21(29-23(33)14-18-12-19(26)15-20(27)13-18)24(34)30-22-16-32(17-28-22)25(2,3)8-11-31-9-5-6-10-31/h12-13,15-17,21H,4-11,14H2,1-3H3,(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	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483757 (CHEMBL1770890) Show SMILES CC(C)(CN1CCCC1)n1cnc(NC(=O)[C@@H](NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2)c1 |r| Show InChI InChI=1S/C27H31F2N5O2/c1-27(2,17-33-10-6-7-11-33)34-16-23(30-18-34)31-26(36)25(20-8-4-3-5-9-20)32-24(35)14-19-12-21(28)15-22(29)13-19/h3-5,8-9,12-13,15-16,18,25H,6-7,10-11,14,17H2,1-2H3,(H,31,36)(H,32,35)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483736 (CHEMBL1770888) Show SMILES CC[C@@H](C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C25H35F2N5O2/c1-5-17(2)23(30-22(33)12-18-10-19(26)13-20(27)11-18)24(34)29-21-14-32(16-28-21)25(3,4)15-31-8-6-7-9-31/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,29,34)(H,30,33)/t17-,23+/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 in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483764 (CHEMBL1770907) Show SMILES CCC[C@H](NC1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H38ClN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/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 in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483749 (CHEMBL1770886) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C22H29F2N5O2/c1-15(26-20(30)10-16-8-17(23)11-18(24)9-16)21(31)27-19-12-29(14-25-19)22(2,3)13-28-6-4-5-7-28/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/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 in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483755 (CHEMBL1770761) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CO |r| Show InChI InChI=1S/C20H26F2N4O3/c1-4-5-16(24-18(28)8-13-6-14(21)9-15(22)7-13)19(29)25-17-10-26(12-23-17)20(2,3)11-27/h6-7,9-10,12,16,27H,4-5,8,11H2,1-3H3,(H,24,28)(H,25,29)/t16-/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 in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483777 (CHEMBL1770913) Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNC(C)C |r| Show InChI InChI=1S/C25H37F2N5O/c1-6-7-22(30-19-9-8-17-10-18(26)11-21(27)20(17)12-19)24(33)31-23-13-32(15-29-23)25(4,5)14-28-16(2)3/h10-11,13,15-16,19,22,28,30H,6-9,12,14H2,1-5H3,(H,31,33)/t19-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483774 (CHEMBL1770909) Show SMILES CCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H38FN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483774 (CHEMBL1770909) Show SMILES CCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r| Show InChI InChI=1S/C26H38FN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2637-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.118 BindingDB Entry DOI: 10.7270/Q2FF3W75
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483747 (CHEMBL1770883) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CCO |r| Show InChI InChI=1S/C21H28F2N4O3/c1-4-5-17(25-19(29)10-14-8-15(22)11-16(23)9-14)20(30)26-18-12-27(13-24-18)21(2,3)6-7-28/h8-9,11-13,17,28H,4-7,10H2,1-3H3,(H,25,29)(H,26,30)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50483737 (CHEMBL1770889) Show SMILES CC(C)(CN1CCCC1)n1cnc(NC(=O)[C@@H](NC(=O)Cc2cc(F)cc(F)c2)C2CCCCC2)c1 |r| Show InChI InChI=1S/C27H37F2N5O2/c1-27(2,17-33-10-6-7-11-33)34-16-23(30-18-34)31-26(36)25(20-8-4-3-5-9-20)32-24(35)14-19-12-21(28)15-22(29)13-19/h12-13,15-16,18,20,25H,3-11,14,17H2,1-2H3,(H,31,36)(H,32,35)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...				Bioorg Med Chem Lett 21: 2631-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.117 BindingDB Entry DOI: 10.7270/Q2K64MX1
					More data for this Ligand-Target Pair

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