Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'nikov' and Initial = 'g'   

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 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))	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))	BDBM50498583 (CHEMBL3609639) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)c(Br)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21BrF4N6O2/c1-14-10-34(13-31-14)20-6-3-15(9-22(20)38-2)18-11-36(33-32-18)21-7-4-16-19(8-5-17(26)23(16)27)35(24(21)37)12-25(28,29)30/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498578 (CHEMBL3609635) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(ccc3ccccc23)N(CC(F)(F)F)C1=O Show InChI InChI=1S/C29H25F3N6O2/c1-18-14-36(17-33-18)25-11-8-20(13-27(25)40-2)23-15-38(35-34-23)26-12-9-22-21-6-4-3-5-19(21)7-10-24(22)37(28(26)39)16-29(30,31)32/h3-8,10-11,13-15,17,26H,9,12,16H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498590 (CHEMBL3609637) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50498590 (CHEMBL3609637) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498582 (CHEMBL3609636) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cc(F)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-6-3-16(10-23(21)37-2)19-12-35(32-31-19)22-7-4-17-9-18(26)5-8-20(17)34(24(22)36)13-25(27,28)29/h3,5-6,8-12,14,22H,4,7,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498580 (CHEMBL3609638) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498588 (CHEMBL3609633) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](C)c2ccccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H25F3N6O2/c1-16-10-23(25(36)34(14-26(27,28)29)21-7-5-4-6-19(16)21)35-13-20(31-32-35)18-8-9-22(24(11-18)37-3)33-12-17(2)30-15-33/h4-9,11-13,15-16,23H,10,14H2,1-3H3/t16-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498583 (CHEMBL3609639) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)c(Br)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21BrF4N6O2/c1-14-10-34(13-31-14)20-6-3-15(9-22(20)38-2)18-11-36(33-32-18)21-7-4-16-19(8-5-17(26)23(16)27)35(24(21)37)12-25(28,29)30/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498589 (CHEMBL3609634) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CSc2ccccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H21F3N6O2S/c1-15-10-31(14-28-15)18-8-7-16(9-21(18)35-2)17-11-33(30-29-17)20-12-36-22-6-4-3-5-19(22)32(23(20)34)13-24(25,26)27/h3-11,14,20H,12-13H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	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))	BDBM50498592 (CHEMBL3609642) Show SMILES [H][C@@]12CCCC[C@@]1([H])N(Cc1ccccc1)C(=O)C(CC2)n1cc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r| Show InChI InChI=1S/C30H34N6O2/c1-21-17-34(20-31-21)27-14-13-24(16-29(27)38-2)25-19-36(33-32-25)28-15-12-23-10-6-7-11-26(23)35(30(28)37)18-22-8-4-3-5-9-22/h3-5,8-9,13-14,16-17,19-20,23,26,28H,6-7,10-12,15,18H2,1-2H3/t23-,26+,28?/m0/s1	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498578 (CHEMBL3609635) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(ccc3ccccc23)N(CC(F)(F)F)C1=O Show InChI InChI=1S/C29H25F3N6O2/c1-18-14-36(17-33-18)25-11-8-20(13-27(25)40-2)23-15-38(35-34-23)26-12-9-22-21-6-4-3-5-19(21)7-10-24(22)37(28(26)39)16-29(30,31)32/h3-8,10-11,13-15,17,26H,9,12,16H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	BDBM50498581 (CHEMBL3609626) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H23F3N6O2/c1-16-12-32(15-29-16)21-9-8-18(11-23(21)36-2)19-13-34(31-30-19)22-10-7-17-5-3-4-6-20(17)33(24(22)35)14-25(26,27)28/h3-6,8-9,11-13,15,22H,7,10,14H2,1-2H3	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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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))	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))	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))	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))	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))	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))	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350777 (CHEMBL1818827) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(Br)cc(Br)c2)nn1 Show InChI InChI=1S/C20H17Br2N5O/c1-13-9-26(12-23-13)19-4-3-15(7-20(19)28-2)18-11-27(25-24-18)10-14-5-16(21)8-17(22)6-14/h3-9,11-12H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Binding affinity to human ERG by radioligand displacement assay				Bioorg Med Chem Lett 21: 4083-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.089 BindingDB Entry DOI: 10.7270/Q2Z3201J
					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))	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))	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))	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))	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))	BDBM50498590 (CHEMBL3609637) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333579 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)q...) Show SMILES COc1cc(\C=C\c2nc(N)c3ccccc3n2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C21H19N5O/c1-14-12-26(13-23-14)18-9-7-15(11-19(18)27-2)8-10-20-24-17-6-4-3-5-16(17)21(22)25-20/h3-13H,1-2H3,(H2,22,24,25)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Displacement of radiolabeled MK-499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 21: 773-6 (2011) Article DOI: 10.1016/j.bmcl.2010.11.111 BindingDB Entry DOI: 10.7270/Q2MK6D5J
					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))	BDBM50498594 (CHEMBL3609625) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC(F)F)C1=O Show InChI InChI=1S/C25H24F2N6O2/c1-16-12-31(15-28-16)21-9-8-18(11-23(21)35-2)19-13-33(30-29-19)22-10-7-17-5-3-4-6-20(17)32(25(22)34)14-24(26)27/h3-6,8-9,11-13,15,22,24H,7,10,14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498580 (CHEMBL3609638) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498591 (CHEMBL3609640) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ncccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H22F3N7O2/c1-15-11-32(14-29-15)20-7-5-16(10-22(20)36-2)18-12-34(31-30-18)21-8-6-17-19(4-3-9-28-17)33(23(21)35)13-24(25,26)27/h3-5,7,9-12,14,21H,6,8,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					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

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