Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'crispino' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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))	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
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))	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
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
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
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))	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
Presenilin-1 (Homo sapiens (Human))	BDBM50481377 (CHEMBL1204127) Show SMILES Br.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 |r| Show InChI InChI=1S/C24H27F8NO2.BrH/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);1H/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	800	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))	BDBM50333593 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)C(F)(F)F)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C22H17F3N4O2/c1-13-11-29(12-26-13)18-7-3-14(9-19(18)31-2)4-8-20-27-17-10-15(22(23,24)25)5-6-16(17)21(30)28-20/h3-12H,1-2H3,(H,27,28,30)	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	870	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))	BDBM50481381 (CHEMBL593741) Show SMILES CC(C)CCC(CCC(C)C)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F5NO2/c1-16(2)5-11-20(12-6-17(3)4)31-14-13-24(26,27)21(15-22(32)33)23(31)18-7-9-19(10-8-18)25(28,29)30/h7-10,16-17,20-21,23H,5-6,11-15H2,1-4H3,(H,32,33)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human 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))	BDBM50333583 (CHEMBL1642188 | ethyl 4-amino-2-(3-methoxy-4-(4-me...) Show SMILES CCOC(=O)c1sc2nc(\C=C\c3ccc(c(OC)c3)-n3cnc(C)c3)nc(N)c2c1C Show InChI InChI=1S/C23H23N5O3S/c1-5-31-23(29)20-14(3)19-21(24)26-18(27-22(19)32-20)9-7-15-6-8-16(17(10-15)30-4)28-11-13(2)25-12-28/h6-12H,5H2,1-4H3,(H2,24,26,27)/b9-7+	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	980	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))	BDBM50333580 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(\C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C27H22N4O2/c1-19-17-30(18-28-19)24-14-12-20(16-25(24)33-2)13-15-26-29-23-11-7-6-10-22(23)27(32)31(26)21-8-4-3-5-9-21/h3-18H,1-2H3/b15-13+	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	990	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))	BDBM50333585 (Benzyl-(2-{2-[3-methoxy-4-(4-methyl-imidazol-1-yl)...) Show SMILES COc1cc(\C=C\c2nc(NCc3ccccc3)c3c4CCCc4sc3n2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C29H27N5OS/c1-19-17-34(18-31-19)23-13-11-20(15-24(23)35-2)12-14-26-32-28(30-16-21-7-4-3-5-8-21)27-22-9-6-10-25(22)36-29(27)33-26/h3-5,7-8,11-15,17-18H,6,9-10,16H2,1-2H3,(H,30,32,33)/b14-12+	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	1.12E+3	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))	BDBM50481372 (CHEMBL1204406) Show SMILES Cl.CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2.ClH/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);1H/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human 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))	BDBM50481371 (CHEMBL1204405) Show SMILES Cl.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 |r| Show InChI InChI=1S/C24H27F8NO2.ClH/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);1H/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human 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))	BDBM50333578 (2-{(E)-2-[3-Methoxy-4-(4-methyl-imidazol-1-yl)-phe...) Show SMILES COc1cc(C=Cc2nc3sc4CCCc4c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C22H20N4O2S/c1-13-11-26(12-23-13)16-8-6-14(10-17(16)28-2)7-9-19-24-21(27)20-15-4-3-5-18(15)29-22(20)25-19/h6-12H,3-5H2,1-2H3,(H,24,25,27)	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	4.73E+3	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))	BDBM50481575 (CHEMBL591351) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(CO)cc(Nc2cc(ccc2C)C(C)(C)C)n1 Show InChI InChI=1S/C29H39N5O2/c1-20-8-9-21(28(2,3)4)16-25(20)31-26-17-22(18-35)30-27(32-26)33-14-15-34(29(5,6)19-33)23-10-12-24(36-7)13-11-23/h8-13,16-17,35H,14-15,18-19H2,1-7H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482057 (CHEMBL1092328) Show SMILES Cc1ccc(cc1Nc1nc(nc2ncn(C)c12)N1CCN(Cc2ccncc2)CC1)C(C)(C)C Show InChI InChI=1S/C27H34N8/c1-19-6-7-21(27(2,3)4)16-22(19)30-25-23-24(29-18-33(23)5)31-26(32-25)35-14-12-34(13-15-35)17-20-8-10-28-11-9-20/h6-11,16,18H,12-15,17H2,1-5H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482058 (CHEMBL1091563) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)c(C)nc2n1 Show InChI InChI=1S/C31H41N7O/c1-20-10-11-22(30(3,4)5)18-25(20)33-28-26-27(32-21(2)36(26)8)34-29(35-28)37-16-17-38(31(6,7)19-37)23-12-14-24(39-9)15-13-23/h10-15,18H,16-17,19H2,1-9H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					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	>1.00E+4	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-40 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))	BDBM50481381 (CHEMBL593741) Show SMILES CC(C)CCC(CCC(C)C)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F5NO2/c1-16(2)5-11-20(12-6-17(3)4)31-14-13-24(26,27)21(15-22(32)33)23(31)18-7-9-19(10-8-18)25(28,29)30/h7-10,16-17,20-21,23H,5-6,11-15H2,1-4H3,(H,32,33)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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-40 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))	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	>1.00E+4	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-40 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))	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	>1.00E+4	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-40 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))	BDBM50481377 (CHEMBL1204127) Show SMILES Br.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 |r| Show InChI InChI=1S/C24H27F8NO2.BrH/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);1H/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	>1.00E+4	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-40 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))	BDBM50481376 (CHEMBL607541) Show SMILES CN1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C15H16F5NO2/c1-21-7-6-14(16,17)11(8-12(22)23)13(21)9-2-4-10(5-3-9)15(18,19)20/h2-5,11,13H,6-8H2,1H3,(H,22,23)/t11-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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-40 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))	BDBM50481376 (CHEMBL607541) Show SMILES CN1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C15H16F5NO2/c1-21-7-6-14(16,17)11(8-12(22)23)13(21)9-2-4-10(5-3-9)15(18,19)20/h2-5,11,13H,6-8H2,1H3,(H,22,23)/t11-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	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	>1.00E+4	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-40 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))	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	>1.00E+4	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-40 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))	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	>1.00E+4	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-40 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))	BDBM50481372 (CHEMBL1204406) Show SMILES Cl.CC(C)(C)CCC(CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(O)=O)[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F8NO2.ClH/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);1H/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	>1.00E+4	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-40 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))	BDBM50481371 (CHEMBL1204405) Show SMILES Cl.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 |r| Show InChI InChI=1S/C24H27F8NO2.ClH/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);1H/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	>1.00E+4	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-40 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))	BDBM50333592 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)S(C)(=O)=O)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C22H20N4O4S/c1-14-12-26(13-23-14)19-8-4-15(10-20(19)30-2)5-9-21-24-18-11-16(31(3,28)29)6-7-17(18)22(27)25-21/h4-13H,1-3H3,(H,24,25,27)	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	>1.00E+4	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))	BDBM50333591 (7-bromo-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)...) Show SMILES COc1cc(C=Cc2nc3cc(Br)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C21H17BrN4O2/c1-13-11-26(12-23-13)18-7-3-14(9-19(18)28-2)4-8-20-24-17-10-15(22)5-6-16(17)21(27)25-20/h3-12H,1-2H3,(H,24,25,27)	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	>1.00E+4	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))	BDBM50333590 (7-chloro-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl...) Show SMILES COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C21H17ClN4O2/c1-13-11-26(12-23-13)18-7-3-14(9-19(18)28-2)4-8-20-24-17-10-15(22)5-6-16(17)21(27)25-20/h3-12H,1-2H3,(H,24,25,27)	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	>1.00E+4	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))	BDBM50333589 (6-fluoro-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl...) Show SMILES COc1cc(C=Cc2nc3ccc(F)cc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C21H17FN4O2/c1-13-11-26(12-23-13)18-7-3-14(9-19(18)28-2)4-8-20-24-17-6-5-15(22)10-16(17)21(27)25-20/h3-12H,1-2H3,(H,24,25,27)	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	>1.00E+4	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))	BDBM50333588 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)q...) Show SMILES COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C21H18N4O2/c1-14-12-25(13-22-14)18-9-7-15(11-19(18)27-2)8-10-20-23-17-6-4-3-5-16(17)21(26)24-20/h3-13H,1-2H3,(H,23,24,26)	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	>1.00E+4	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))	BDBM50333576 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(C=Cc2nc3scc(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C20H18N4O2S/c1-12-10-27-20-18(12)19(25)22-17(23-20)7-5-14-4-6-15(16(8-14)26-3)24-9-13(2)21-11-24/h4-11H,1-3H3,(H,22,23,25)	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	>1.00E+4	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))	BDBM50333577 (2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-...) Show SMILES COc1cc(C=Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4| Show InChI InChI=1S/C21H20N4O2S/c1-12-10-25(11-22-12)16-7-5-15(9-17(16)27-4)6-8-18-23-20(26)19-13(2)14(3)28-21(19)24-18/h5-11H,1-4H3,(H,23,24,26)	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	>1.00E+4	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))	BDBM50482059 (CHEMBL1093188) Show SMILES Cc1cc(OC2CCN(CC2)c2nc(Nc3cc(ccc3C)C(C)(C)C)c3n(C)cnc3n2)ncn1 Show InChI InChI=1S/C27H34N8O/c1-17-7-8-19(27(3,4)5)14-21(17)31-25-23-24(30-16-34(23)6)32-26(33-25)35-11-9-20(10-12-35)36-22-13-18(2)28-15-29-22/h7-8,13-16,20H,9-12H2,1-6H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482060 (CHEMBL1089200) Show SMILES Cc1ccc(cc1Nc1nc(NCCc2cnn(C)c2)nc2ncn(C)c12)C(C)(C)C Show InChI InChI=1S/C23H30N8/c1-15-7-8-17(23(2,3)4)11-18(15)27-21-19-20(25-14-30(19)5)28-22(29-21)24-10-9-16-12-26-31(6)13-16/h7-8,11-14H,9-10H2,1-6H3,(H2,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 2279-82 (2010) Article DOI: 10.1016/j.bmcl.2010.02.008 BindingDB Entry DOI: 10.7270/Q2N019B3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481577 (CHEMBL591596) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)cc(OCCN(C)C)n1 Show InChI InChI=1S/C32H46N6O2/c1-23-10-11-24(31(2,3)4)20-27(23)33-28-21-29(40-19-18-36(7)8)35-30(34-28)37-16-17-38(32(5,6)22-37)25-12-14-26(39-9)15-13-25/h10-15,20-21H,16-19,22H2,1-9H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481573 (CHEMBL591295) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(N)cc(Nc2cc(ccc2C)C(C)(C)C)n1 Show InChI InChI=1S/C28H38N6O/c1-19-8-9-20(27(2,3)4)16-23(19)30-25-17-24(29)31-26(32-25)33-14-15-34(28(5,6)18-33)21-10-12-22(35-7)13-11-21/h8-13,16-17H,14-15,18H2,1-7H3,(H3,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481572 (CHEMBL589905) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)cc(OCCN2CCOCC2)n1 Show InChI InChI=1S/C34H48N6O3/c1-25-8-9-26(33(2,3)4)22-29(25)35-30-23-31(43-21-18-38-16-19-42-20-17-38)37-32(36-30)39-14-15-40(34(5,6)24-39)27-10-12-28(41-7)13-11-27/h8-13,22-23H,14-21,24H2,1-7H3,(H,35,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481574 (CHEMBL589855) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)cc(OCCC2CCCN2C)n1 Show InChI InChI=1S/C35H50N6O2/c1-25-11-12-26(34(2,3)4)22-30(25)36-31-23-32(43-21-17-27-10-9-18-39(27)7)38-33(37-31)40-19-20-41(35(5,6)24-40)28-13-15-29(42-8)16-14-28/h11-16,22-23,27H,9-10,17-21,24H2,1-8H3,(H,36,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481576 (CHEMBL589658) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)cc(OCCC(C)(C)O)n1 Show InChI InChI=1S/C33H47N5O3/c1-23-10-11-24(31(2,3)4)20-27(23)34-28-21-29(41-19-16-33(7,8)39)36-30(35-28)37-17-18-38(32(5,6)22-37)25-12-14-26(40-9)15-13-25/h10-15,20-21,39H,16-19,22H2,1-9H3,(H,34,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
					More data for this Ligand-Target Pair

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