Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'angagaw' and Initial = 'm'   

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))	BDBM50481375 (CHEMBL593032) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6@H](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)C(F)(F)[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-10-18(8-11-21(24,25)26)32-12-9-17(14-19(33)34)22(27,28)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481378 (CHEMBL595152) Show SMILES CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H27F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481374 (CHEMBL603447) Show SMILES CC(C)(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)11-8-18(9-12-22(25,26)27)33-13-10-17(14-19(34)35)23(28,29)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481379 (CHEMBL606917) Show SMILES CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481380 (CHEMBL593531) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]C(F)(F)[#6@H](-[#6]-[#6](-[#8])=O)-[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-9-17(8-10-22(26,27)28)32-12-11-21(24,25)18(14-19(33)34)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481373 (CHEMBL593742) Show SMILES CC(C)CC[C@@H](N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F8NO2/c1-16(2)3-12-22(17-4-8-19(9-5-17)26(30,31)32)36-14-13-21(15-23(37)38)25(28,29)24(36)18-6-10-20(11-7-18)27(33,34)35/h4-11,16,21-22,24H,3,12-15H2,1-2H3,(H,37,38)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481377 (CHEMBL1204127) Show SMILES Br.CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H27F8NO2.BrH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481381 (CHEMBL593741) Show SMILES CC(C)CCC(CCC(C)C)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F5NO2/c1-16(2)5-11-20(12-6-17(3)4)31-14-13-24(26,27)21(15-22(32)33)23(31)18-7-9-19(10-8-18)25(28,29)30/h7-10,16-17,20-21,23H,5-6,11-15H2,1-4H3,(H,32,33)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481372 (CHEMBL1204406) Show SMILES Cl.CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2.ClH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481371 (CHEMBL1204405) Show SMILES Cl.CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H27F8NO2.ClH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482057 (CHEMBL1092328) Show SMILES Cc1ccc(cc1Nc1nc(nc2ncn(C)c12)N1CCN(Cc2ccncc2)CC1)C(C)(C)C Show InChI InChI=1S/C27H34N8/c1-19-6-7-21(27(2,3)4)16-22(19)30-25-23-24(29-18-33(23)5)31-26(32-25)35-14-12-34(13-15-35)17-20-8-10-28-11-9-20/h6-11,16,18H,12-15,17H2,1-5H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482058 (CHEMBL1091563) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)c(C)nc2n1 Show InChI InChI=1S/C31H41N7O/c1-20-10-11-22(30(3,4)5)18-25(20)33-28-26-27(32-21(2)36(26)8)34-29(35-28)37-16-17-38(31(6,7)19-37)23-12-14-24(39-9)15-13-23/h10-15,18H,16-17,19H2,1-9H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481379 (CHEMBL606917) Show SMILES CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481381 (CHEMBL593741) Show SMILES CC(C)CCC(CCC(C)C)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F5NO2/c1-16(2)5-11-20(12-6-17(3)4)31-14-13-24(26,27)21(15-22(32)33)23(31)18-7-9-19(10-8-18)25(28,29)30/h7-10,16-17,20-21,23H,5-6,11-15H2,1-4H3,(H,32,33)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481378 (CHEMBL595152) Show SMILES CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H27F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481380 (CHEMBL593531) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]C(F)(F)[#6@H](-[#6]-[#6](-[#8])=O)-[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-9-17(8-10-22(26,27)28)32-12-11-21(24,25)18(14-19(33)34)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481377 (CHEMBL1204127) Show SMILES Br.CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H27F8NO2.BrH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481376 (CHEMBL607541) Show SMILES CN1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C15H16F5NO2/c1-21-7-6-14(16,17)11(8-12(22)23)13(21)9-2-4-10(5-3-9)15(18,19)20/h2-5,11,13H,6-8H2,1H3,(H,22,23)/t11-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481376 (CHEMBL607541) Show SMILES CN1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C15H16F5NO2/c1-21-7-6-14(16,17)11(8-12(22)23)13(21)9-2-4-10(5-3-9)15(18,19)20/h2-5,11,13H,6-8H2,1H3,(H,22,23)/t11-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481375 (CHEMBL593032) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6@H](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)C(F)(F)[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-10-18(8-11-21(24,25)26)32-12-9-17(14-19(33)34)22(27,28)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481374 (CHEMBL603447) Show SMILES CC(C)(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)11-8-18(9-12-22(25,26)27)33-13-10-17(14-19(34)35)23(28,29)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481373 (CHEMBL593742) Show SMILES CC(C)CC[C@@H](N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F8NO2/c1-16(2)3-12-22(17-4-8-19(9-5-17)26(30,31)32)36-14-13-21(15-23(37)38)25(28,29)24(36)18-6-10-20(11-7-18)27(33,34)35/h4-11,16,21-22,24H,3,12-15H2,1-2H3,(H,37,38)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481371 (CHEMBL1204405) Show SMILES Cl.CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H27F8NO2.ClH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481372 (CHEMBL1204406) Show SMILES Cl.CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2.ClH/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32;/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35);1H/t17?,18-,20-;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482059 (CHEMBL1093188) Show SMILES Cc1cc(OC2CCN(CC2)c2nc(Nc3cc(ccc3C)C(C)(C)C)c3n(C)cnc3n2)ncn1 Show InChI InChI=1S/C27H34N8O/c1-17-7-8-19(27(3,4)5)14-21(17)31-25-23-24(30-16-34(23)6)32-26(33-25)35-11-9-20(10-12-35)36-22-13-18(2)28-15-29-22/h7-8,13-16,20H,9-12H2,1-6H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482060 (CHEMBL1089200) Show SMILES Cc1ccc(cc1Nc1nc(NCCc2cnn(C)c2)nc2ncn(C)c12)C(C)(C)C Show InChI InChI=1S/C23H30N8/c1-15-7-8-17(23(2,3)4)11-18(15)27-21-19-20(25-14-30(19)5)28-22(29-21)24-10-9-16-12-26-31(6)13-16/h7-8,11-14H,9-10H2,1-6H3,(H2,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482062 (CHEMBL1091494) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)cnc2n1 Show InChI InChI=1S/C30H39N7O/c1-20-9-10-21(29(2,3)4)17-24(20)32-27-25-26(31-19-35(25)7)33-28(34-27)36-15-16-37(30(5,6)18-36)22-11-13-23(38-8)14-12-22/h9-14,17,19H,15-16,18H2,1-8H3,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482061 (CHEMBL1089530) Show SMILES COc1ccc(cc1)N1CCN(CC1)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)cnc2n1 Show InChI InChI=1S/C28H35N7O/c1-19-7-8-20(28(2,3)4)17-23(19)30-26-24-25(29-18-33(24)5)31-27(32-26)35-15-13-34(14-16-35)21-9-11-22(36-6)12-10-21/h7-12,17-18H,13-16H2,1-6H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482056 (CHEMBL1092725) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)c(nc2n1)C(F)(F)F Show InChI InChI=1S/C31H38F3N7O/c1-19-9-10-20(29(2,3)4)17-23(19)35-25-24-26(36-27(39(24)7)31(32,33)34)38-28(37-25)40-15-16-41(30(5,6)18-40)21-11-13-22(42-8)14-12-21/h9-14,17H,15-16,18H2,1-8H3,(H,35,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair