Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50043116   

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))	BDBM50436209 (CHEMBL2398571) Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21 Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436209 (CHEMBL2398571) Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21 Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436216 (CHEMBL2398575) Show SMILES CCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C22H34O4/c1-6-7-8-9-10-11-14-25-19-15(2)16(3)20-18(17(19)4)12-13-22(5,26-20)21(23)24/h6-14H2,1-5H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436216 (CHEMBL2398575) Show SMILES CCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C22H34O4/c1-6-7-8-9-10-11-14-25-19-15(2)16(3)20-18(17(19)4)12-13-22(5,26-20)21(23)24/h6-14H2,1-5H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436218 (CHEMBL2398573) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)/t22-,23-,31?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436217 (CHEMBL2398574) Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436215 (CHEMBL2398576) Show SMILES CCCCCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-14-17-28-22-18(2)19(3)23-21(20(22)4)15-16-25(5,29-23)24(26)27/h6-17H2,1-5H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436214 (CHEMBL2398577) Show SMILES CCCCCCCCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-31-25-21(2)22(3)26-24(23(25)4)18-19-28(5,32-26)27(29)30/h6-20H2,1-5H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436212 (CHEMBL2398578) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6])c(-[#6])c2-[#8]C([#6])([#6]-[#6]-c2c1-[#6])[#6](-[#8])=O Show InChI InChI=1S/C29H42O4/c1-19(2)11-9-12-20(3)13-10-14-21(4)16-18-32-26-22(5)23(6)27-25(24(26)7)15-17-29(8,33-27)28(30)31/h11,13,16H,9-10,12,14-15,17-18H2,1-8H3,(H,30,31)/b20-13+,21-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436205 (CHEMBL2398579) Show SMILES CCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C24H36O6/c1-6-7-8-9-10-11-14-28-23(27)24(5)13-12-19-18(4)21(29-15-20(25)26)16(2)17(3)22(19)30-24/h6-15H2,1-5H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436206 (CHEMBL2398567) Show SMILES CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436217 (CHEMBL2398574) Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436206 (CHEMBL2398567) Show SMILES CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436218 (CHEMBL2398573) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)/t22-,23-,31?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436205 (CHEMBL2398579) Show SMILES CCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C24H36O6/c1-6-7-8-9-10-11-14-28-23(27)24(5)13-12-19-18(4)21(29-15-20(25)26)16(2)17(3)22(19)30-24/h6-15H2,1-5H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436212 (CHEMBL2398578) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6])c(-[#6])c2-[#8]C([#6])([#6]-[#6]-c2c1-[#6])[#6](-[#8])=O Show InChI InChI=1S/C29H42O4/c1-19(2)11-9-12-20(3)13-10-14-21(4)16-18-32-26-22(5)23(6)27-25(24(26)7)15-17-29(8,33-27)28(30)31/h11,13,16H,9-10,12,14-15,17-18H2,1-8H3,(H,30,31)/b20-13+,21-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436214 (CHEMBL2398577) Show SMILES CCCCCCCCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-31-25-21(2)22(3)26-24(23(25)4)18-19-28(5,32-26)27(29)30/h6-20H2,1-5H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436215 (CHEMBL2398576) Show SMILES CCCCCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O Show InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-14-17-28-22-18(2)19(3)23-21(20(22)4)15-16-25(5,29-23)24(26)27/h6-17H2,1-5H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436210 (CHEMBL2398570) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)C1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8]-[#6]-[#6](-[#8])=O)c(-[#6])c(-[#6])c2-[#8]1 Show InChI InChI=1S/C31H44O6/c1-20(2)11-9-12-21(3)13-10-14-22(4)16-18-35-30(34)31(8)17-15-26-25(7)28(36-19-27(32)33)23(5)24(6)29(26)37-31/h11,13,16H,9-10,12,14-15,17-19H2,1-8H3,(H,32,33)/b21-13+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436213 (CHEMBL2396675) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H56O4/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)20-22-37-31-27(6)28(7)32-30(29(31)8)19-21-34(9,38-32)33(35)36/h20,23-25H,10-19,21-22H2,1-9H3,(H,35,36)/b26-20+/t24-,25-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436207 (CHEMBL2398568) Show SMILES CCCCCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C30H48O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-34-29(33)30(5)19-18-25-24(4)27(35-21-26(31)32)22(2)23(3)28(25)36-30/h6-21H2,1-5H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436211 (CHEMBL2398569) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C36H58O6/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-18-27(5)20-22-40-35(39)36(9)21-19-31-30(8)33(41-23-32(37)38)28(6)29(7)34(31)42-36/h20,24-26H,10-19,21-23H2,1-9H3,(H,37,38)/b27-20+/t25-,26-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436208 (CHEMBL2398572) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O |r| Show InChI InChI=1S/C35H50ClNO2/c1-24(2)10-7-11-25(3)12-8-13-26(4)14-9-15-27(5)20-21-37-33-19-17-30(36)23-32(33)31-18-16-29(22-34(31)37)28(6)35(38)39/h16-20,22-26,28H,7-15,21H2,1-6H3,(H,38,39)/b27-20+/t25-,26-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436213 (CHEMBL2396675) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H56O4/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)20-22-37-31-27(6)28(7)32-30(29(31)8)19-21-34(9,38-32)33(35)36/h20,23-25H,10-19,21-22H2,1-9H3,(H,35,36)/b26-20+/t24-,25-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436208 (CHEMBL2398572) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O |r| Show InChI InChI=1S/C35H50ClNO2/c1-24(2)10-7-11-25(3)12-8-13-26(4)14-9-15-27(5)20-21-37-33-19-17-30(36)23-32(33)31-18-16-29(22-34(31)37)28(6)35(38)39/h16-20,22-26,28H,7-15,21H2,1-6H3,(H,38,39)/b27-20+/t25-,26-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436210 (CHEMBL2398570) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)C1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8]-[#6]-[#6](-[#8])=O)c(-[#6])c(-[#6])c2-[#8]1 Show InChI InChI=1S/C31H44O6/c1-20(2)11-9-12-21(3)13-10-14-22(4)16-18-35-30(34)31(8)17-15-26-25(7)28(36-19-27(32)33)23(5)24(6)29(26)37-31/h11,13,16H,9-10,12,14-15,17-19H2,1-8H3,(H,32,33)/b21-13+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436207 (CHEMBL2398568) Show SMILES CCCCCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 Show InChI InChI=1S/C30H48O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-34-29(33)30(5)19-18-25-24(4)27(35-21-26(31)32)22(2)23(3)28(25)36-30/h6-21H2,1-5H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436211 (CHEMBL2398569) Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C36H58O6/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-18-27(5)20-22-40-35(39)36(9)21-19-31-30(8)33(41-23-32(37)38)28(6)29(7)34(31)42-36/h20,24-26H,10-19,21-23H2,1-9H3,(H,37,38)/b27-20+/t25-,26-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436219 (CHEMBL2398566) Show SMILES COC(=O)COc1c(C)c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c1C Show InChI InChI=1S/C32H54O4/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-19-32(8)20-18-28-27(7)30(35-21-29(33)34-9)25(5)26(6)31(28)36-32/h22-24H,10-21H2,1-9H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436220 (CHEMBL49563) Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 Show InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair