Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'hughes' and Initial = 'bl'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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))	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))	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))	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))	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	170	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))	BDBM50498584 (CHEMBL3609641) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H22F3N7O2/c1-15-11-32(14-29-15)19-7-6-17(10-21(19)36-2)18-12-34(31-30-18)20-8-5-16-4-3-9-28-22(16)33(23(20)35)13-24(25,26)27/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3	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 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))	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	190	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))	BDBM50381466 (CHEMBL2017579) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CC[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H32N6O2/c1-23-18-37(22-33-23)29-15-13-26(17-31(29)40-2)28-21-38(35-34-28)30-16-14-27(25-11-7-4-8-12-25)20-36(32(30)39)19-24-9-5-3-6-10-24/h3-13,15,17-18,21-22,27,30H,14,16,19-20H2,1-2H3/t27-,30-/m0/s1	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3140-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.054 BindingDB Entry DOI: 10.7270/Q24Q7W0H
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481375 (CHEMBL593032) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6@H](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)C(F)(F)[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-10-18(8-11-21(24,25)26)32-12-9-17(14-19(33)34)22(27,28)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	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	240	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))	BDBM50498579 (CHEMBL3609628) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccccc2)C1=O Show InChI InChI=1S/C30H28N6O2/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/h3-11,13-14,16-17,19-20,28H,12,15,18H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381445 (CHEMBL2017413) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccc(F)cc2)C2C3CC4CC(C3)CC2C4)nn1 |TLB:38:37:35:31.32.33,20:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,33:32:29:36.34.35,33:34:29:31.38.32,20:29:35:31.32.33,(27.35,-8.32,;27.35,-9.86,;28.68,-10.63,;30.01,-9.86,;31.35,-10.63,;31.35,-12.18,;30.01,-12.95,;28.68,-12.18,;27.35,-12.94,;25.95,-12.32,;24.92,-13.46,;25.69,-14.79,;25.06,-16.2,;27.19,-14.48,;32.67,-9.85,;34.08,-10.47,;35.11,-9.33,;36.65,-9.35,;37.44,-8.03,;36.69,-6.68,;38.98,-8.06,;39.77,-6.74,;39.02,-5.39,;39.82,-4.08,;39.08,-2.73,;37.53,-2.71,;36.78,-1.36,;36.74,-4.04,;37.49,-5.38,;39.73,-9.4,;40.92,-8.13,;42.25,-8.61,;43.65,-8.26,;43.66,-6.73,;42.26,-6.16,;40.92,-6.63,;41.22,-7.39,;41.23,-8.98,;42.63,-9.54,;34.33,-8,;32.83,-8.32,)| Show InChI InChI=1S/C32H35FN6O2/c1-20-15-37(19-34-20)29-8-5-24(14-30(29)41-2)28-17-38(36-35-28)18-31(40)39(16-21-3-6-27(33)7-4-21)32-25-10-22-9-23(12-25)13-26(32)11-22/h3-8,14-15,17,19,22-23,25-26,32H,9-13,16,18H2,1-2H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3140-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.054 BindingDB Entry DOI: 10.7270/Q24Q7W0H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333582 (6-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(\C=C\c2nc(N)nc(Nc3ccccc3)n2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C22H21N7O/c1-15-13-29(14-24-15)18-10-8-16(12-19(18)30-2)9-11-20-26-21(23)28-22(27-20)25-17-6-4-3-5-7-17/h3-14H,1-2H3,(H3,23,25,26,27,28)/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333581 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(\C=C\c2nc3ccccc3c(=O)n2C)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C22H20N4O2/c1-15-13-26(14-23-15)19-10-8-16(12-20(19)28-3)9-11-21-24-18-7-5-4-6-17(18)22(27)25(21)2/h4-14H,1-3H3/b11-9+	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	310	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350788 (CHEMBL1818826) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1 Show InChI InChI=1S/C28H35N5O/c1-19-15-32(18-29-19)25-10-9-21(13-26(25)34-8)24-17-33(31-30-24)16-20-11-22(27(2,3)4)14-23(12-20)28(5,6)7/h9-15,17-18H,16H2,1-8H3	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	320	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))	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	320	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))	BDBM50498593 (CHEMBL3609627) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC2CC2)C1=O Show InChI InChI=1S/C27H28N6O2/c1-18-14-31(17-28-18)24-11-10-21(13-26(24)35-2)22-16-33(30-29-22)25-12-9-20-5-3-4-6-23(20)32(27(25)34)15-19-7-8-19/h3-6,10-11,13-14,16-17,19,25H,7-9,12,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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))	BDBM50498596 (CHEMBL3609622) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O Show InChI InChI=1S/C23H22N6O2/c1-15-12-28(14-24-15)20-9-8-17(11-22(20)31-2)19-13-29(27-26-19)21-10-7-16-5-3-4-6-18(16)25-23(21)30/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333586 (2-{2-[3-Methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]...) Show SMILES COc1cc(\C=C\c2nc(N)c3c4CCCCCc4sc3n2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H25N5OS/c1-15-13-29(14-26-15)18-10-8-16(12-19(18)30-2)9-11-21-27-23(25)22-17-6-4-3-5-7-20(17)31-24(22)28-21/h8-14H,3-7H2,1-2H3,(H2,25,27,28)/b11-9+	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	390	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))	BDBM50481378 (CHEMBL595152) Show SMILES CC(C)(C)C#CC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H27F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,9,11-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350786 (CHEMBL1818828) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nn1 Show InChI InChI=1S/C22H17F6N5O/c1-13-9-32(12-29-13)19-4-3-15(7-20(19)34-2)18-11-33(31-30-18)10-14-5-16(21(23,24)25)8-17(6-14)22(26,27)28/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	390	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350785 (CHEMBL1818829) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1 Show InChI InChI=1S/C24H27N5O/c1-17-13-28(16-25-17)22-11-8-19(12-23(22)30-5)21-15-29(27-26-21)14-18-6-9-20(10-7-18)24(2,3)4/h6-13,15-16H,14H2,1-5H3	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	390	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))	BDBM50498595 (CHEMBL3609623) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(C)C1=O Show InChI InChI=1S/C24H24N6O2/c1-16-13-29(15-25-16)21-10-9-18(12-23(21)32-3)19-14-30(27-26-19)22-11-8-17-6-4-5-7-20(17)28(2)24(22)31/h4-7,9-10,12-15,22H,8,11H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381447 (CHEMBL2017415) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)nn1 |r| Show InChI InChI=1S/C30H30N6O2/c1-22-17-34(21-31-22)28-15-14-26(16-29(28)38-3)27-19-35(33-32-27)20-30(37)36(18-24-10-6-4-7-11-24)23(2)25-12-8-5-9-13-25/h4-17,19,21,23H,18,20H2,1-3H3/t23-/m1/s1	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	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3140-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.054 BindingDB Entry DOI: 10.7270/Q24Q7W0H
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498597 (CHEMBL3609624) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CCF)C1=O Show InChI InChI=1S/C25H25FN6O2/c1-17-14-30(16-27-17)22-9-8-19(13-24(22)34-2)20-15-32(29-28-20)23-10-7-18-5-3-4-6-21(18)31(12-11-26)25(23)33/h3-6,8-9,13-16,23H,7,10-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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))	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	470	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))	BDBM50481374 (CHEMBL603447) Show SMILES CC(C)(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)11-8-18(9-12-22(25,26)27)33-13-10-17(14-19(34)35)23(28,29)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17-,18+,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333584 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)b...) Show SMILES COc1cc(\C=C\c2nc(N)c3c(n2)oc2ccccc32)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C23H19N5O2/c1-14-12-28(13-25-14)17-9-7-15(11-19(17)29-2)8-10-20-26-22(24)21-16-5-3-4-6-18(16)30-23(21)27-20/h3-13H,1-2H3,(H2,24,26,27)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	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 expressed in HEK cells by MK-499 radioligand displacement assay				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))	BDBM50498598 (CHEMBL3608322) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1(C)CCc2ccccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C26H25F3N6O2/c1-17-13-33(16-30-17)22-9-8-19(12-23(22)37-3)20-14-35(32-31-20)25(2)11-10-18-6-4-5-7-21(18)34(24(25)36)15-26(27,28)29/h4-9,12-14,16H,10-11,15H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	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))	BDBM50481379 (CHEMBL606917) Show SMILES CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H31F8NO2/c1-21(2,3)10-8-17(9-11-23(27,28)29)33-13-12-22(25,26)18(14-19(34)35)20(33)15-4-6-16(7-5-15)24(30,31)32/h4-7,17-18,20H,8-14H2,1-3H3,(H,34,35)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381454 (CHEMBL2017566) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C27H23F3N6O2/c1-18-13-34(17-31-18)24-10-8-21(12-25(24)38-2)23-14-35(33-32-23)15-26(37)36(16-27(28,29)30)22-9-7-19-5-3-4-6-20(19)11-22/h3-14,17H,15-16H2,1-2H3	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	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3140-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.054 BindingDB Entry DOI: 10.7270/Q24Q7W0H
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481380 (CHEMBL593531) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#6](-[#6]-[#6]C(F)(F)F)-[#7]-1-[#6]-[#6]C(F)(F)[#6@H](-[#6]-[#6](-[#8])=O)-[#6@H]-1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F8NO2Si/c1-35(2,3)13-9-17(8-10-22(26,27)28)32-12-11-21(24,25)18(14-19(33)34)20(32)15-4-6-16(7-5-15)23(29,30)31/h4-7,17-18,20H,8-14H2,1-3H3,(H,33,34)/t17?,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333587 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(\C=C\c2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C20H18N4O/c1-14-12-24(13-21-14)18-9-7-15(11-19(18)25-2)8-10-20-22-16-5-3-4-6-17(16)23-20/h3-13H,1-2H3,(H,22,23)/b10-8+	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	680	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))	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	700	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))	BDBM50481373 (CHEMBL593742) Show SMILES CC(C)CC[C@@H](N1CC[C@@H](CC(O)=O)C(F)(F)[C@H]1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F8NO2/c1-16(2)3-12-22(17-4-8-19(9-5-17)26(30,31)32)36-14-13-21(15-23(37)38)25(28,29)24(36)18-6-10-20(11-7-18)27(33,34)35/h4-11,16,21-22,24H,3,12-15H2,1-2H3,(H,37,38)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemil...				Bioorg Med Chem Lett 20: 755-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.034 BindingDB Entry DOI: 10.7270/Q2611347
					More data for this Ligand-Target Pair

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