Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'hayashi' and Initial = 'i'   

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))	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))	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))	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))	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))	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))	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
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))	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))	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))	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
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
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))	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
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
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
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))	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))	BDBM50498599 (CHEMBL3609631) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2cccnc2)C1=O Show InChI InChI=1S/C29H27N7O2/c1-20-16-34(19-31-20)26-11-10-23(14-28(26)38-2)24-18-36(33-32-24)27-12-9-22-7-3-4-8-25(22)35(29(27)37)17-21-6-5-13-30-15-21/h3-8,10-11,13-16,18-19,27H,9,12,17H2,1-2H3	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 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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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))	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	940	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	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))	BDBM50498587 (CHEMBL3609629) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccccn2)C1=O Show InChI InChI=1S/C29H27N7O2/c1-20-16-34(19-31-20)26-12-11-22(15-28(26)38-2)24-18-36(33-32-24)27-13-10-21-7-3-4-9-25(21)35(29(27)37)17-23-8-5-6-14-30-23/h3-9,11-12,14-16,18-19,27H,10,13,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	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))	BDBM50498585 (CHEMBL3609630) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccncc2)C1=O Show InChI InChI=1S/C29H27N7O2/c1-20-16-34(19-31-20)26-9-8-23(15-28(26)38-2)24-18-36(33-32-24)27-10-7-22-5-3-4-6-25(22)35(29(27)37)17-21-11-13-30-14-12-21/h3-6,8-9,11-16,18-19,27H,7,10,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	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))	BDBM50498586 (CHEMBL3609632) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC2(C)COC2)C1=O Show InChI InChI=1S/C28H30N6O3/c1-19-13-32(18-29-19)24-10-9-21(12-26(24)36-3)22-14-34(31-30-22)25-11-8-20-6-4-5-7-23(20)33(27(25)35)15-28(2)16-37-17-28/h4-7,9-10,12-14,18,25H,8,11,15-17H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	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))	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	1.34E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	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))	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	2.01E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+3	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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+3	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))	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	3.08E+3	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))	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	3.14E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+3	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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	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))	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	3.98E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.06E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50498599 (CHEMBL3609631) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2cccnc2)C1=O Show InChI InChI=1S/C29H27N7O2/c1-20-16-34(19-31-20)26-11-10-23(14-28(26)38-2)24-18-36(33-32-24)27-12-9-22-7-3-4-8-25(22)35(29(27)37)17-21-6-5-13-30-15-21/h3-8,10-11,13-16,18-19,27H,9,12,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.45E+3	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

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