Compile Data Set for Download or QSAR

Found 566 hits for UniProtKB: P49810   

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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185404 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-1-...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H]2[C@H](CNS(=O)(=O)N2C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClF2N2O4S2/c23-15-1-6-18(7-2-15)32(28,29)22(19-11-16(24)3-8-20(19)25)10-9-21-14(12-22)13-26-33(30,31)27(21)17-4-5-17/h1-3,6-8,11,14,17,21,26H,4-5,9-10,12-13H2/t14-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185410 ((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...) Show SMILES CCC1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClF2NO4S2/c1-2-17-11-14-13-22(10-9-21(14)26-32(17,29)30,19-12-16(24)5-8-20(19)25)31(27,28)18-6-3-15(23)4-7-18/h3-8,12,14,17,21,26H,2,9-11,13H2,1H3/t14-,17?,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185411 ((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...) Show SMILES CC1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClF2NO4S2/c1-13-10-14-12-21(9-8-20(14)25-31(13,28)29,18-11-16(23)4-7-19(18)24)30(26,27)17-5-2-15(22)3-6-17/h2-7,11,13-14,20,25H,8-10,12H2,1H3/t13?,14-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50410179 (CHEMBL2096800) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C72H123N13O17/c1-28-42(13)52(76-56(88)48(38(5)6)74-57(89)49(39(7)8)78-63(95)69(19,20)82-46(86)35-73-55(87)47(37(3)4)81-67(99)102-68(16,17)18)61(93)84-71(23,24)65(97)80-54(44(15)101-36-45-33-31-30-32-34-45)59(91)75-51(41(11)12)60(92)83-70(21,22)64(96)79-50(40(9)10)58(90)77-53(43(14)29-2)62(94)85-72(25,26)66(98)100-27/h30-34,37-44,47-54H,28-29,35-36H2,1-27H3,(H,73,87)(H,74,89)(H,75,91)(H,76,88)(H,77,90)(H,78,95)(H,79,96)(H,80,97)(H,81,99)(H,82,86)(H,83,92)(H,84,93)(H,85,94)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter				J Med Chem 47: 3931-3 (2004) Article DOI: 10.1021/jm049788c BindingDB Entry DOI: 10.7270/Q29Z94C2
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185407 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-3-...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H]2NS(=O)(=O)N(C[C@@H]2C1)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClF2N2O4S2/c23-15-1-6-18(7-2-15)32(28,29)22(19-11-16(24)3-8-20(19)25)10-9-21-14(12-22)13-27(17-4-5-17)33(30,31)26-21/h1-3,6-8,11,14,17,21,26H,4-5,9-10,12-13H2/t14-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135575 ((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(cc[nH]c3=O)c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H24F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-12,14-16,26H,13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185414 ((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...) Show SMILES CCCC1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClF2NO4S2/c1-2-3-19-12-15-14-23(11-10-22(15)27-33(19,30)31,20-13-17(25)6-9-21(20)26)32(28,29)18-7-4-16(24)5-8-18/h4-9,13,15,19,22,27H,2-3,10-12,14H2,1H3/t15-,19?,22+,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185405 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-3-...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H]2NS(=O)(=O)N(C[C@@H]2C1)C1CCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2N2O4S2/c24-16-4-7-19(8-5-16)33(29,30)23(20-12-17(25)6-9-21(20)26)11-10-22-15(13-23)14-28(18-2-1-3-18)34(31,32)27-22/h4-9,12,15,18,22,27H,1-3,10-11,13-14H2/t15-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135589 ((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)NCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H26F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185413 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES CCN1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClF2N2O4S2/c1-2-26-13-14-12-21(10-9-20(14)25-32(26,29)30,18-11-16(23)5-8-19(18)24)31(27,28)17-6-3-15(22)4-7-17/h3-8,11,14,20,25H,2,9-10,12-13H2,1H3/t14-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185408 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES CC(C)N1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClF2N2O4S2/c1-14(2)27-13-15-12-22(10-9-21(15)26-33(27,30)31,19-11-17(24)5-8-20(19)25)32(28,29)18-6-3-16(23)4-7-18/h3-8,11,14-15,21,26H,9-10,12-13H2,1-2H3/t15-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135578 (4-{3-[(S)-3-(3,4-Difluoro-phenyl)-2-methyl-propion...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1N=C(c2ccc(cc2)C(N)=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H24F2N4O3/c1-15(13-16-7-12-20(28)21(29)14-16)26(35)32-25-27(36)33(2)22-6-4-3-5-19(22)23(31-25)17-8-10-18(11-9-17)24(30)34/h3-12,14-15,25H,13H2,1-2H3,(H2,30,34)(H,32,35)/t15-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50171224 (CHEMBL196215 | Cyclic sulfamide) Show SMILES FC(F)(F)CN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(\C=C\CN3CCC(CC3)C(F)(F)F)ccc2C1 |r| Show InChI InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay				Bioorg Med Chem Lett 15: 4212-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.084 BindingDB Entry DOI: 10.7270/Q237788H
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185406 ((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...) Show SMILES CCC1C[C@@H]2C[C@](CC[C@@H]2CS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2O4S2/c1-2-19-11-16-13-23(10-9-15(16)14-31(19,27)28,21-12-18(25)5-8-22(21)26)32(29,30)20-6-3-17(24)4-7-20/h3-8,12,15-16,19H,2,9-11,13-14H2,1H3/t15-,16-,19?,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135579 ((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-1-(2-hydroxy-et...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCO)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O5/c1-16(12-17-6-8-20(29)21(30)13-17)27(35)32-26-28(36)33(10-11-34)22-5-3-2-4-19(22)25(31-26)18-7-9-23-24(14-18)38-15-37-23/h2-9,13-14,16,26,34H,10-12,15H2,1H3,(H,32,35)/t16-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185412 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES CN1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClF2N2O4S2/c1-25-12-13-11-20(9-8-19(13)24-31(25,28)29,17-10-15(22)4-7-18(17)23)30(26,27)16-5-2-14(21)3-6-16/h2-7,10,13,19,24H,8-9,11-12H2,1H3/t13-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157959 (5-Chloro-thiophene-2-sulfonic acid [5-((E)-3-morph...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCOCC3)ccc1C2 |THB:17:16:10:12.13,9:10:16.30.15.31:12.13,29:30:10:12.13| Show InChI InChI=1S/C24H29ClN2O3S2/c25-22-7-8-23(31-22)32(28,29)26-24-19-5-6-20(24)16-21-14-17(3-4-18(21)15-19)2-1-9-27-10-12-30-13-11-27/h1-4,7-8,14,19-20,24,26H,5-6,9-13,15-16H2/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Presenilin-2 (Homo sapiens (Human))	BDBM50393452 (CHEMBL2159511) Show SMILES CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50171213 (CHEMBL194788 | Cyclic sulfamide) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1[C@H]2CC[C@@H]1Cc1cc(\C=C\CN3CCOCC3)ccc1C2 Show InChI InChI=1S/C24H29ClN2O3S2/c25-22-7-8-23(31-22)32(28,29)26-24-19-5-6-20(24)16-21-14-17(3-4-18(21)15-19)2-1-9-27-10-12-30-13-11-27/h1-4,7-8,14,19-20,24,26H,5-6,9-13,15-16H2/b2-1+/t19-,20+,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay				Bioorg Med Chem Lett 15: 4212-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.084 BindingDB Entry DOI: 10.7270/Q237788H
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50223758 (CHEMBL58925) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H45N3O4/c1-5-6-17-31(4)28(35)24(19-21-13-9-7-10-14-21)30-26(33)23(18-20(2)3)29-27(34)25(32)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-25,32H,5-7,9-10,13-14,17-19H2,1-4H3,(H,29,34)(H,30,33)/t23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase activity				Bioorg Med Chem Lett 14: 3539-43 (2004) BindingDB Entry DOI: 10.7270/Q20K2BR7
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185409 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES CCCN1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClF2N2O4S2/c1-2-11-27-14-15-13-22(10-9-21(15)26-33(27,30)31,19-12-17(24)5-8-20(19)25)32(28,29)18-6-3-16(23)4-7-18/h3-8,12,15,21,26H,2,9-11,13-14H2,1H3/t15-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135584 ((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)occc3=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H23F2N3O4/c1-16(13-17-7-10-21(30)22(31)14-17)28(36)33-27-29(37)34(2)23-6-4-3-5-19(23)26(32-27)18-8-9-20-24(35)11-12-38-25(20)15-18/h3-12,14-16,27H,13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50185403 ((+/-)-(4aS,6R,8aS)-3-tert-butyl-6-(4-chloro-benzen...) Show SMILES CC(C)(C)N1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClF2N2O4S2/c1-22(2,3)28-14-15-13-23(11-10-21(15)27-34(28,31)32,19-12-17(25)6-9-20(19)26)33(29,30)18-7-4-16(24)5-8-18/h4-9,12,15,21,27H,10-11,13-14H2,1-3H3/t15-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135582 ((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-2,3-dihyd...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2NC1=O |t:16| Show InChI InChI=1S/C26H21F2N3O4/c1-14(10-15-6-8-18(27)19(28)11-15)25(32)31-24-26(33)29-20-5-3-2-4-17(20)23(30-24)16-7-9-21-22(12-16)35-13-34-21/h2-9,11-12,14,24H,10,13H2,1H3,(H,29,33)(H,31,32)/t14-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135586 ((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-methylcarbamo...) Show SMILES CNC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13| Show InChI InChI=1S/C29H26F2N4O5/c1-16(11-17-7-9-20(30)21(31)12-17)28(37)34-27-29(38)35(14-25(36)32-2)22-6-4-3-5-19(22)26(33-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,32,36)(H,34,37)/t16-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129274 (CHEMBL3629745) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129274 (CHEMBL3629745) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50171219 (CHEMBL198301 | Cyclic sulfamide) Show SMILES CCCN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(\C=C\CN3CCC(CC3)C(F)(F)F)ccc2C1 Show InChI InChI=1S/C26H36F3N3O2S/c1-2-11-32-18-25(30-35(32,33)34)23-7-8-24(25)17-21-15-19(5-6-20(21)16-23)4-3-12-31-13-9-22(10-14-31)26(27,28)29/h3-6,15,22-24,30H,2,7-14,16-18H2,1H3/b4-3+/t23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay				Bioorg Med Chem Lett 15: 4212-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.084 BindingDB Entry DOI: 10.7270/Q237788H
					More data for this Ligand-Target Pair
Presenilin-2 (Homo sapiens (Human))	BDBM50393453 (CHEMBL2159510) Show SMILES CCS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23ClF2O6S2/c1-2-32(26,27)12-9-19-16-13-31-21-18(25)8-7-17(24)20(21)22(16,10-11-30-19)33(28,29)15-5-3-14(23)4-6-15/h3-8,16,19H,2,9-13H2,1H3/t16-,19-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135591 ((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O3/c1-17(14-18-10-13-23(31)24(32)15-18)29(37)34-28-30(38)35(2)25-8-4-3-7-22(25)27(33-28)20-11-12-21-19(16-20)6-5-9-26(21)36/h3-4,7-8,10-13,15-17,28H,5-6,9,14H2,1-2H3,(H,34,37)/t17-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50189039 (4-(4-(1-(4-chloro-N-(2,5-difluorophenyl)phenylsulf...) Show SMILES CC(N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1OCCCN1CCCC1)C(=O)c1ccc(COC(=O)NCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 Show InChI InChI=1S/C51H61ClF2N6O8S2/c1-34(60(44-31-39(53)19-23-42(44)54)70(65,66)40-20-17-38(52)18-21-40)41-22-16-37(30-45(41)67-29-9-28-59-26-7-8-27-59)49(62)36-14-12-35(13-15-36)32-68-51(64)56-25-6-2-5-24-55-47(61)11-4-3-10-46-48-43(33-69-46)57-50(63)58-48/h12-23,30-31,34,43,46,48H,2-11,24-29,32-33H2,1H3,(H,55,61)(H,56,64)(H2,57,58,63)/t34?,43-,46-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibition of beta amyloid protein 40 production				Bioorg Med Chem Lett 16: 4184-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.091 BindingDB Entry DOI: 10.7270/Q2RF5TN8
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129273 (CHEMBL3629744) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC21COP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21?,22-,32?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129269 (CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...) Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129269 (CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...) Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166702 (2-(1-(4-chlorophenylsulfonyl)cyclohexyl)-1,4-diflu...) Show SMILES Fc1ccc(F)c(c1)C1(CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClF2O2S/c19-13-4-7-15(8-5-13)24(22,23)18(10-2-1-3-11-18)16-12-14(20)6-9-17(16)21/h4-9,12H,1-3,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50186575 (CHEMBL377206 | cis-methyl 4-(3-(4-chlorophenylsulf...) Show SMILES COC(=O)CCC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h7-12,14,16H,2-6,13,15H2,1H3/t16-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase expressed in SH-SY5Y cells				Bioorg Med Chem Lett 16: 3839-42 (2006) Article DOI: 10.1016/j.bmcl.2006.04.019 BindingDB Entry DOI: 10.7270/Q2BP02DT
					More data for this Ligand-Target Pair
Presenilin-2 (Homo sapiens (Human))	BDBM50393454 (CHEMBL2159509) Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Presenilin-2 (Homo sapiens (Human))	BDBM50393454 (CHEMBL2159509) Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50171215 (CHEMBL198302 | Cyclic sulfamide) Show SMILES FC(F)(F)CN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(\C=C\CN3CCOCC3)ccc2C1 Show InChI InChI=1S/C23H30F3N3O3S/c24-23(25,26)16-29-15-22(27-33(29,30)31)20-5-6-21(22)14-19-12-17(3-4-18(19)13-20)2-1-7-28-8-10-32-11-9-28/h1-4,12,20-21,27H,5-11,13-16H2/b2-1+/t20-,21+,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay				Bioorg Med Chem Lett 15: 4212-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.084 BindingDB Entry DOI: 10.7270/Q237788H
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135581 ((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H25F2N3O3/c1-16(13-17-7-11-22(30)23(31)14-17)28(36)33-27-29(37)34(2)24-6-4-3-5-21(24)26(32-27)19-8-10-20-18(15-19)9-12-25(20)35/h3-8,10-11,14-16,27H,9,12-13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135590 ((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-1-(3-oxo-...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCC(C)=O)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O5/c1-17(13-19-7-9-22(31)23(32)14-19)29(37)34-28-30(38)35(12-11-18(2)36)24-6-4-3-5-21(24)27(33-28)20-8-10-25-26(15-20)40-16-39-25/h3-10,14-15,17,28H,11-13,16H2,1-2H3,(H,34,37)/t17-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50171223 (CHEMBL195551 | Cyclic sulfamide) Show SMILES CC(=O)N1CCN(C\C=C\c2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@]42CN(CC(F)(F)F)S(=O)(=O)N2)CC1 Show InChI InChI=1S/C25H33F3N4O3S/c1-18(33)31-11-9-30(10-12-31)8-2-3-19-4-5-20-14-22-6-7-23(15-21(20)13-19)24(22)16-32(17-25(26,27)28)36(34,35)29-24/h2-5,13,22-23,29H,6-12,14-17H2,1H3/b3-2+/t22-,23+,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay				Bioorg Med Chem Lett 15: 4212-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.084 BindingDB Entry DOI: 10.7270/Q237788H
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50223748 (CHEMBL406322) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O Show InChI InChI=1S/C25H32N4O4S/c1-15(2)12-20(26-21(30)13-17-10-11-34-14-17)23(31)27-22-18-8-6-7-9-19(18)24(32)29(16(3)4)28(5)25(22)33/h6-11,14-16,20,22H,12-13H2,1-5H3,(H,26,30)(H,27,31)/t20-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase activity				Bioorg Med Chem Lett 14: 3539-43 (2004) BindingDB Entry DOI: 10.7270/Q20K2BR7
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50593495 (CHEMBL5196156) Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(C)ns1)C2NC1=NC2C=CC=C(C2=N1)c1ccc(F)c(F)c1F |r,c:23,25,28,t:20| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50135588 ((S)-3-(3,4-Difluoro-phenyl)-N-[(S)-5-(2,3-dihydro-...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCCOc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O4/c1-16(13-17-7-9-20(29)21(30)14-17)27(34)32-26-28(35)33(2)22-6-4-3-5-19(22)25(31-26)18-8-10-23-24(15-18)37-12-11-36-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,34)/t16-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma secretase.				Bioorg Med Chem Lett 13: 4143-5 (2003) BindingDB Entry DOI: 10.7270/Q22V2FHQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM28986 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;6.75,9.15,;7.16,6.09,;8.44,8.02,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)| Show InChI InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2/t14-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129278 (CHEMBL3629742 | US9464103, (6aR,10aS)-10a-(4-chlor...) Show SMILES Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCSCC3 |r| Show InChI InChI=1S/C23H23ClF2O3S2/c24-15-2-4-16(5-3-15)31(27,28)23-9-1-8-22(10-12-30-13-11-22)19(23)14-29-21-18(26)7-6-17(25)20(21)23/h2-7,19H,1,8-14H2/t19-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50129273 (CHEMBL3629744) Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC21COP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21?,22-,32?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...				J Med Chem 58: 8806-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00774 BindingDB Entry DOI: 10.7270/Q2HQ41R9
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50151297 (CHEMBL3771056) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2c1C=CCN=C2c1ccccc1 |c:26,29| Show InChI InChI=1S/C25H22ClN7O/c1-27-24-18-9-6-12-28-22(16-7-4-3-5-8-16)23(18)31-25(32-24)30-17-10-11-19(20(13-17)34-2)33-14-21(26)29-15-33/h3-11,13-15H,12H2,1-2H3,(H2,27,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA				Bioorg Med Chem Lett 26: 1554-7 (2016) Article DOI: 10.1016/j.bmcl.2016.02.016 BindingDB Entry DOI: 10.7270/Q2Q81FXR
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50223752 (CHEMBL117978) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C)N(C)C1=O |r| Show InChI InChI=1S/C22H22F2N4O4/c1-12(25-18(29)10-13-8-14(23)11-15(24)9-13)20(30)26-19-16-6-4-5-7-17(16)21(31)27(2)28(3)22(19)32/h4-9,11-12,19H,10H2,1-3H3,(H,25,29)(H,26,30)/t12-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase activity				Bioorg Med Chem Lett 14: 3539-43 (2004) BindingDB Entry DOI: 10.7270/Q20K2BR7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 566 total )  |  Next  |  Last  >>

Jump to: