Compile Data Set for Download or QSAR

Found 1315 hits with Last Name = 'sauer' and Initial = 'jm'   

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))	BDBM50458169 (Avagacestat | BMS 708163 | BMS-708163 | BMS-708163...) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50481056 (CHEMBL572032) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)C#N Show InChI InChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-9-12(10-25)1-8-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481062 (CHEMBL583904) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C19H16ClN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481086 (CHEMBL571602) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481087 (CHEMBL571145) Show SMILES FC(F)(F)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11ClF3N3O2S/c18-10-5-7-11(8-6-10)27(25,26)24-14-4-2-1-3-12(14)15-13(9-22-23-15)16(24)17(19,20)21/h1-9,16H,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492082 (CHEMBL2396959) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1c2cccc1Cl |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481063 (CHEMBL583662) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-n1ccnc1 Show InChI InChI=1S/C23H18F3N5O2S/c24-23(25,26)15-3-6-17(7-4-15)34(32,33)31-20-11-16(30-10-9-27-13-30)5-8-18(20)21-19(12-28-29-21)22(31)14-1-2-14/h3-14,22H,1-2H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481089 (CHEMBL584330) Show SMILES COC(=O)c1ccc2-c3n[nH]cc3C(C3CC3)N(c2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O4S/c1-32-21(29)13-4-9-16-18(10-13)28(20(12-2-3-12)17-11-26-27-19(16)17)33(30,31)15-7-5-14(6-8-15)22(23,24)25/h4-12,20H,2-3H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481055 (CHEMBL571821) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(I)cc12 Show InChI InChI=1S/C20H15F3IN3O2S/c21-20(22,23)12-3-6-14(7-4-12)30(28,29)27-17-9-13(24)5-8-15(17)18-16(10-25-26-18)19(27)11-1-2-11/h3-11,19H,1-2H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481058 (CHEMBL570694) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOC1=O Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)14-3-6-16(7-4-14)35(32,33)30-19-11-15(29-9-10-34-22(29)31)5-8-17(19)20-18(12-27-28-20)21(30)13-1-2-13/h3-8,11-13,21H,1-2,9-10H2,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481061 (CHEMBL570379) Show SMILES CC(C)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492094 (CHEMBL2396964) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(n1)C(F)(F)F)c1c2c(F)ccc1F |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C18H11F5N4O2S/c19-9-4-5-10(20)16-15(9)12-6-11-8(7-24-26-11)17(16)27(12)30(28,29)14-3-1-2-13(25-14)18(21,22)23/h1-5,7,12,17H,6H2,(H,24,26)/t12-,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481081 (CHEMBL584956) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C20H16F3N3O2S/c21-20(22,23)13-7-9-14(10-8-13)29(27,28)26-17-4-2-1-3-15(17)18-16(11-24-25-18)19(26)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492093 (CHEMBL2396778) Show SMILES Fc1cc2N([C@H](C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481070 (CHEMBL571591) Show SMILES CCC1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481068 (CHEMBL584113) Show SMILES Fc1ccc2N(C(C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492085 (CHEMBL2396953) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1ccc(nc1)C(F)(F)F)c1c2cccc1F |r,THB:11:10:25.24:2.7.3| Show InChI InChI=1S/C18H12F4N4O2S/c19-12-3-1-2-10-14-6-13-11(8-24-25-13)17(16(10)12)26(14)29(27,28)9-4-5-15(23-7-9)18(20,21)22/h1-5,7-8,14,17H,6H2,(H,24,25)/t14-,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481064 (CHEMBL585713) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cscn1 Show InChI InChI=1S/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481043 (CHEMBL583660) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C19H16FN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481069 (CHEMBL571175) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(Cl)cc12 Show InChI InChI=1S/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481075 (CHEMBL571817) Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ncc(Cl)s1 Show InChI InChI=1S/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482032 (ENT A) Show SMILES CC[C@H]1Cc2n[nH]cc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA				Bioorg Med Chem Lett 20: 2195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.039 BindingDB Entry DOI: 10.7270/Q2RN3BP7
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482032 (ENT A) Show SMILES CC[C@H]1Cc2n[nH]cc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA				Bioorg Med Chem Lett 20: 2195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.039 BindingDB Entry DOI: 10.7270/Q2RN3BP7
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481154 (CHEMBL570980) Show SMILES CC#CC1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:2:3:14:6.11.7,THB:10:11:4.3.13:14| Show InChI InChI=1S/C18H18ClN3O2S/c1-2-3-12-8-14-10-17-16(11-20-21-17)18(9-12)22(14)25(23,24)15-6-4-13(19)5-7-15/h4-7,11-12,14,18H,8-10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA				Bioorg Med Chem Lett 19: 6952-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481048 (CHEMBL584115) Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492083 (CHEMBL2396960) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1cc(Cl)ccc21 |r,THB:11:10:30.24:2.7.3| Show InChI InChI=1S/C19H13ClF3N3O2S/c20-11-4-5-13-14(7-11)18-15-9-24-25-16(15)8-17(13)26(18)29(27,28)12-3-1-2-10(6-12)19(21,22)23/h1-7,9,17-18H,8H2,(H,24,25)/t17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481088 (CHEMBL568891) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O3S/c25-24(26,27)16-3-6-18(7-4-16)35(32,33)31-21-13-17(30-9-11-34-12-10-30)5-8-19(21)22-20(14-28-29-22)23(31)15-1-2-15/h3-8,13-15,23H,1-2,9-12H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481065 (CHEMBL571818) Show SMILES C[C@H]1N(c2ccc(F)cc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481054 (CHEMBL583674) Show SMILES CC1N(c2cc(O)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O3S/c1-10-15-9-19-20-17(15)14-7-4-12(22)8-16(14)21(10)25(23,24)13-5-2-11(18)3-6-13/h2-10,22H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481079 (CHEMBL585538) Show SMILES Fc1ccc2N([C@H](C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481067 (CHEMBL571387) Show SMILES O=S(=O)(N1C(C2CC2)c2c[nH]nc2-c2ccccc12)c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481148 (CHEMBL570752) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)C#C |TLB:17:16:12.13.14:10,THB:22:13:10:21.16.20| Show InChI InChI=1S/C17H16ClN3O2S/c1-2-11-7-13-9-16-15(10-19-20-16)17(8-11)21(13)24(22,23)14-5-3-12(18)4-6-14/h1,3-6,10-11,13,17H,7-9H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA				Bioorg Med Chem Lett 19: 6952-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481045 (CHEMBL569570) Show SMILES FC(F)Oc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cc(F)ccc12 Show InChI InChI=1S/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482033 (CHEMBL1093761) Show SMILES CC(C)[C@H]1Cc2n[nH]cc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H24F3N3O2S/c1-11(2)17-9-16-15(10-23-24-16)18(12(3)4)25(17)28(26,27)14-7-5-13(6-8-14)19(20,21)22/h5-8,10-12,17-18H,9H2,1-4H3,(H,23,24)/t17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA				Bioorg Med Chem Lett 20: 2195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.039 BindingDB Entry DOI: 10.7270/Q2RN3BP7
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481057 (CHEMBL571822) Show SMILES CC1N(c2cc(OC(=O)N(C)C)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50352621 (CHEMBL1822152) Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 5521-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50482050 (CHEMBL1090408) Show SMILES CC[C@H]1Cc2n[nH]cc2CN1S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C14H16ClN3O2S/c1-2-12-7-14-10(8-16-17-14)9-18(12)21(19,20)13-5-3-11(15)4-6-13/h3-6,8,12H,2,7,9H2,1H3,(H,16,17)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA				Bioorg Med Chem Lett 20: 2195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.039 BindingDB Entry DOI: 10.7270/Q2RN3BP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50352620 (CHEMBL1822151) Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 5521-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492098 (CHEMBL2396963) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(n1)C(F)(F)F)c1cccc(F)c21 |r,THB:11:10:30.24:2.7.3| Show InChI InChI=1S/C18H12F4N4O2S/c19-11-4-1-3-9-16(11)13-7-12-10(8-23-25-12)17(9)26(13)29(27,28)15-6-2-5-14(24-15)18(20,21)22/h1-6,8,13,17H,7H2,(H,23,25)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50352624 (CHEMBL1822305 | US9796706, Compound 139) Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12 Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 5521-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438363 (CHEMBL2408751) Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481147 (CHEMBL585542) Show SMILES Cl\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:2:3:14:6.11.7,THB:10:11:4.3.13:14| Show InChI InChI=1S/C17H17Cl2N3O2S/c18-6-5-11-7-13-9-16-15(10-20-21-16)17(8-11)22(13)25(23,24)14-3-1-12(19)2-4-14/h1-6,10-11,13,17H,7-9H2,(H,20,21)/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA				Bioorg Med Chem Lett 19: 6952-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481164 (CHEMBL585911) Show SMILES FC(F)(F)\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:5:6:17:9.14.10,THB:13:14:7.6.16:17| Show InChI InChI=1S/C18H17ClF3N3O2S/c19-12-1-3-14(4-2-12)28(26,27)25-13-7-11(5-6-18(20,21)22)8-17(25)15-10-23-24-16(15)9-13/h1-6,10-11,13,17H,7-9H2,(H,23,24)/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA				Bioorg Med Chem Lett 19: 6952-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481084 (CHEMBL570471) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cccnc12 Show InChI InChI=1S/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50492097 (CHEMBL2396965) Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1cc(F)c(F)cc21 |r,THB:11:10:31.24:2.7.3| Show InChI InChI=1S/C19H12F5N3O2S/c20-14-5-11-12(6-15(14)21)18-13-8-25-26-16(13)7-17(11)27(18)30(28,29)10-3-1-2-9(4-10)19(22,23)24/h1-6,8,17-18H,7H2,(H,25,26)/t17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481060 (CHEMBL571590) Show SMILES CC1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2S/c1-11-15-10-19-20-17(15)14-4-2-3-5-16(14)21(11)24(22,23)13-8-6-12(18)7-9-13/h2-11H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481083 (CHEMBL584536) Show SMILES Fc1ccc2N(C(C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(Cl)cn1 Show InChI InChI=1S/C18H14ClFN4O2S/c19-11-3-6-16(21-8-11)27(25,26)24-15-5-4-12(20)7-13(15)17-14(9-22-23-17)18(24)10-1-2-10/h3-10,18H,1-2H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50437671 (CHEMBL2408057) Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-11-13-23(32)14-12-22)27(35-30)34-25(29(40)41)19-21-9-15-24(16-10-21)43-31(42)37-17-7-8-18-37/h9-16,20,25H,4-8,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin				Bioorg Med Chem Lett 23: 4370-3 (2013) Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50437674 (CHEMBL2408066) Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r| Show InChI InChI=1S/C29H41N7O6/c1-4-33(5-2)27-30-20-24(36(6-3)28(39)34-15-17-41-18-16-34)25(32-27)31-23(26(37)38)19-21-9-11-22(12-10-21)42-29(40)35-13-7-8-14-35/h9-12,20,23H,4-8,13-19H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin				Bioorg Med Chem Lett 23: 4370-3 (2013) Article DOI: 10.1016/j.bmcl.2013.05.076 BindingDB Entry DOI: 10.7270/Q22J6D91
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50481082 (CHEMBL571173) Show SMILES CC1N(c2cccc(F)c2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClFN3O2S/c1-10-13-9-20-21-17(13)16-14(19)3-2-4-15(16)22(10)25(23,24)12-7-5-11(18)6-8-12/h2-10H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay				Bioorg Med Chem Lett 19: 4920-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR
					More data for this Ligand-Target Pair

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