Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'chapnick' 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
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484998 (CHEMBL2019013) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClF5NO3S/c23-14-1-4-16(5-2-14)33(31,32)21(17-13-15(24)3-6-18(17)25)9-11-29(12-10-21)19(30)20(7-8-20)22(26,27)28/h1-6,13H,7-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484998 (CHEMBL2019013) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClF5NO3S/c23-14-1-4-16(5-2-14)33(31,32)21(17-13-15(24)3-6-18(17)25)9-11-29(12-10-21)19(30)20(7-8-20)22(26,27)28/h1-6,13H,7-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485004 (CHEMBL2019014) Show SMILES COC(=O)C1(CC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClF2NO5S/c1-32-21(29)22(8-9-22)20(28)27-12-10-23(11-13-27,18-14-16(25)4-7-19(18)26)33(30,31)17-5-2-15(24)3-6-17/h2-7,14H,8-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484992 (CHEMBL2019003) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1ncccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClF5N2O3S/c25-15-3-6-17(7-4-15)36(34,35)23(19-14-16(26)5-8-20(19)27)9-12-32(13-10-23)22(33)21-18(24(28,29)30)2-1-11-31-21/h1-8,11,14H,9-10,12-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485003 (CHEMBL2019015) Show SMILES CC1(CC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2NO3S/c1-21(8-9-21)20(27)26-12-10-22(11-13-26,18-14-16(24)4-7-19(18)25)30(28,29)17-5-2-15(23)3-6-17/h2-7,14H,8-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484999 (CHEMBL2019012) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClF5NO3S/c24-15-2-5-17(6-3-15)34(32,33)22(18-14-16(25)4-7-19(18)26)10-12-30(13-11-22)20(31)21(8-1-9-21)23(27,28)29/h2-7,14H,1,8-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485003 (CHEMBL2019015) Show SMILES CC1(CC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2NO3S/c1-21(8-9-21)20(27)26-12-10-22(11-13-26,18-14-16(24)4-7-19(18)25)30(28,29)17-5-2-15(23)3-6-17/h2-7,14H,8-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485007 (CHEMBL2019001) Show SMILES COc1ccc2c(cn(C)c2c1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClF2N2O4S/c1-32-17-23(22-9-6-20(37-2)16-26(22)32)27(34)33-13-11-28(12-14-33,24-15-19(30)5-10-25(24)31)38(35,36)21-7-3-18(29)4-8-21/h3-10,15-17H,11-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484992 (CHEMBL2019003) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1ncccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClF5N2O3S/c25-15-3-6-17(7-4-15)36(34,35)23(19-14-16(26)5-8-20(19)27)9-12-32(13-10-23)22(33)21-18(24(28,29)30)2-1-11-31-21/h1-8,11,14H,9-10,12-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484999 (CHEMBL2019012) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClF5NO3S/c24-15-2-5-17(6-3-15)34(32,33)22(18-14-16(25)4-7-19(18)26)10-12-30(13-11-22)20(31)21(8-1-9-21)23(27,28)29/h2-7,14H,1,8-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485009 (CHEMBL2019000) Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H23ClF2N2O4S/c1-36-19-5-8-21-22(16-31-25(21)15-19)26(33)32-12-10-27(11-13-32,23-14-18(29)4-9-24(23)30)37(34,35)20-6-2-17(28)3-7-20/h2-9,14-16,31H,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485010 (CHEMBL2019009) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClF5NO3S/c21-13-1-4-15(5-2-13)31(29,30)19(16-11-14(22)3-6-17(16)23)7-9-27(10-8-19)18(28)12-20(24,25)26/h1-6,11H,7-10,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485007 (CHEMBL2019001) Show SMILES COc1ccc2c(cn(C)c2c1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClF2N2O4S/c1-32-17-23(22-9-6-20(37-2)16-26(22)32)27(34)33-13-11-28(12-14-33,24-15-19(30)5-10-25(24)31)38(35,36)21-7-3-18(29)4-8-21/h3-10,15-17H,11-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485010 (CHEMBL2019009) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClF5NO3S/c21-13-1-4-15(5-2-13)31(29,30)19(16-11-14(22)3-6-17(16)23)7-9-27(10-8-19)18(28)12-20(24,25)26/h1-6,11H,7-10,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485004 (CHEMBL2019014) Show SMILES COC(=O)C1(CC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClF2NO5S/c1-32-21(29)22(8-9-22)20(28)27-12-10-23(11-13-27,18-14-16(25)4-7-19(18)26)33(30,31)17-5-2-15(24)3-6-17/h2-7,14H,8-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484991 (CHEMBL2019004) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1cnccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClF5N2O3S/c25-15-1-4-17(5-2-15)36(34,35)23(20-13-16(26)3-6-21(20)27)8-11-32(12-9-23)22(33)18-14-31-10-7-19(18)24(28,29)30/h1-7,10,13-14H,8-9,11-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485005 (CHEMBL2019011) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClF5NO3S/c25-16-3-6-18(7-4-16)35(33,34)23(19-15-17(26)5-8-20(19)27)11-13-31(14-12-23)21(32)22(24(28,29)30)9-1-2-10-22/h3-8,15H,1-2,9-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484997 (CHEMBL2019016) Show SMILES CC(C)(O)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClF2NO4S/c1-20(2,27)19(26)25-11-9-21(10-12-25,17-13-15(23)5-8-18(17)24)30(28,29)16-6-3-14(22)4-7-16/h3-8,13,27H,9-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485002 (CHEMBL2018998) Show SMILES Cn1cc(C(=O)N2CCC(CC2)(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(n1)C(F)(F)F Show InChI InChI=1S/C23H19ClF5N3O3S/c1-31-13-17(20(30-31)23(27,28)29)21(33)32-10-8-22(9-11-32,18-12-15(25)4-7-19(18)26)36(34,35)16-5-2-14(24)3-6-16/h2-7,12-13H,8-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484991 (CHEMBL2019004) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1cnccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClF5N2O3S/c25-15-1-4-17(5-2-15)36(34,35)23(20-13-16(26)3-6-21(20)27)8-11-32(12-9-23)22(33)18-14-31-10-7-19(18)24(28,29)30/h1-7,10,13-14H,8-9,11-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484997 (CHEMBL2019016) Show SMILES CC(C)(O)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClF2NO4S/c1-20(2,27)19(26)25-11-9-21(10-12-25,17-13-15(23)5-8-18(17)24)30(28,29)16-6-3-14(22)4-7-16/h3-8,13,27H,9-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485005 (CHEMBL2019011) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClF5NO3S/c25-16-3-6-18(7-4-16)35(33,34)23(19-15-17(26)5-8-20(19)27)11-13-31(14-12-23)21(32)22(24(28,29)30)9-1-2-10-22/h3-8,15H,1-2,9-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484993 (CHEMBL2019002) Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClF2N3O3S/c1-27-13-10-26-20(27)21(29)28-11-8-22(9-12-28,18-14-16(24)4-7-19(18)25)32(30,31)17-5-2-15(23)3-6-17/h2-7,10,13-14H,8-9,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485002 (CHEMBL2018998) Show SMILES Cn1cc(C(=O)N2CCC(CC2)(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(n1)C(F)(F)F Show InChI InChI=1S/C23H19ClF5N3O3S/c1-31-13-17(20(30-31)23(27,28)29)21(33)32-10-8-22(9-11-32,18-12-15(25)4-7-19(18)26)36(34,35)16-5-2-14(24)3-6-16/h2-7,12-13H,8-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485006 (CHEMBL2019010) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCCCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClF5NO3S/c26-17-4-7-19(8-5-17)36(34,35)24(20-16-18(27)6-9-21(20)28)12-14-32(15-13-24)22(33)23(25(29,30)31)10-2-1-3-11-23/h4-9,16H,1-3,10-15H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485001 (CHEMBL2018999) Show SMILES Cn1nc(c(C(=O)N2CCC(CC2)(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1Cl)C(F)(F)F Show InChI InChI=1S/C23H18Cl2F5N3O3S/c1-32-20(25)18(19(31-32)23(28,29)30)21(34)33-10-8-22(9-11-33,16-12-14(26)4-7-17(16)27)37(35,36)15-5-2-13(24)3-6-15/h2-7,12H,8-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484993 (CHEMBL2019002) Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClF2N3O3S/c1-27-13-10-26-20(27)21(29)28-11-8-22(9-12-28,18-14-16(24)4-7-19(18)25)32(30,31)17-5-2-15(23)3-6-17/h2-7,10,13-14H,8-9,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485000 (CHEMBL2019007) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19ClF5NO3S/c26-16-5-8-18(9-6-16)36(34,35)24(21-15-17(27)7-10-22(21)28)11-13-32(14-12-24)23(33)19-3-1-2-4-20(19)25(29,30)31/h1-10,15H,11-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485006 (CHEMBL2019010) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CCCCC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClF5NO3S/c26-17-4-7-19(8-5-17)36(34,35)24(20-16-18(27)6-9-21(20)28)12-14-32(15-13-24)22(33)23(25(29,30)31)10-2-1-3-11-23/h4-9,16H,1-3,10-15H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485001 (CHEMBL2018999) Show SMILES Cn1nc(c(C(=O)N2CCC(CC2)(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1Cl)C(F)(F)F Show InChI InChI=1S/C23H18Cl2F5N3O3S/c1-32-20(25)18(19(31-32)23(28,29)30)21(34)33-10-8-22(9-11-33,16-12-14(26)4-7-17(16)27)37(35,36)15-5-2-13(24)3-6-15/h2-7,12H,8-11H2,1H3	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485000 (CHEMBL2019007) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19ClF5NO3S/c26-16-5-8-18(9-6-16)36(34,35)24(21-15-17(27)7-10-22(21)28)11-13-32(14-12-24)23(33)19-3-1-2-4-20(19)25(29,30)31/h1-10,15H,11-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485009 (CHEMBL2019000) Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H23ClF2N2O4S/c1-36-19-5-8-21-22(16-31-25(21)15-19)26(33)32-12-10-27(11-13-32,23-14-18(29)4-9-24(23)30)37(34,35)20-6-2-17(28)3-7-20/h2-9,14-16,31H,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484989 (CHEMBL2019008) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF5NO3S/c22-14-1-4-16(5-2-14)32(30,31)20(17-13-15(23)3-6-18(17)24)9-11-28(12-10-20)19(29)7-8-21(25,26)27/h1-6,13H,7-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484989 (CHEMBL2019008) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF5NO3S/c22-14-1-4-16(5-2-14)32(30,31)20(17-13-15(23)3-6-18(17)24)9-11-28(12-10-20)19(29)7-8-21(25,26)27/h1-6,13H,7-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484996 (CHEMBL2019017) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2NO4S/c1-21(13-30-14-21)20(27)26-10-8-22(9-11-26,18-12-16(24)4-7-19(18)25)31(28,29)17-5-2-15(23)3-6-17/h2-7,12H,8-11,13-14H2,1H3	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484996 (CHEMBL2019017) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClF2NO4S/c1-21(13-30-14-21)20(27)26-10-8-22(9-11-26,18-12-16(24)4-7-19(18)25)31(28,29)17-5-2-15(23)3-6-17/h2-7,12H,8-11,13-14H2,1H3	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485008 (CHEMBL2019005) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1cnc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2F5N2O3S/c25-14-1-4-16(5-2-14)37(35,36)23(19-11-15(27)3-6-20(19)28)7-9-33(10-8-23)22(34)17-13-32-21(26)12-18(17)24(29,30)31/h1-6,11-13H,7-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485008 (CHEMBL2019005) Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)c1cnc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2F5N2O3S/c25-14-1-4-16(5-2-14)37(35,36)23(19-11-15(27)3-6-20(19)28)7-9-33(10-8-23)22(34)17-13-32-21(26)12-18(17)24(29,30)31/h1-6,11-13H,7-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484995 (CHEMBL2019018) Show SMILES O[C@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+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 SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair

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