Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'wrigley' 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
Presenilin-1 (Homo sapiens (Human))	BDBM50480056 (CHEMBL468083) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(F)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24F4N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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))	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
Presenilin-1 (Homo sapiens (Human))	BDBM50480057 (CHEMBL523832) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)cc3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480051 (CHEMBL512282) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)cc3F)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(21-7-6-20(27)11-22(21)28)12-23(32-34)16-3-2-15-9-18-4-5-19(10-17(15)8-16)25(18)13-35(14-26(29,30)31)38(36,37)33-25/h2-3,6-8,11-12,18-19,33H,4-5,9-10,13-14H2,1H3/t18-,19+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480052 (CHEMBL467457) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(F)c(F)c3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(17-4-7-21(27)22(28)11-17)12-23(32-34)16-3-2-15-9-19-5-6-20(10-18(15)8-16)25(19)13-35(14-26(29,30)31)38(36,37)33-25/h2-4,7-8,11-12,19-20,33H,5-6,9-10,13-14H2,1H3/t19-,20+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480058 (CHEMBL495009) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(F)cc1F)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H23F5N4O2S/c26-20-5-6-23(21(27)10-20)33-11-22(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480062 (CHEMBL511572) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(Cl)cc3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H26ClF3N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480065 (CHEMBL495185) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24ClF3N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480059 (CHEMBL523883) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(F)c(F)c1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H23F5N4O2S/c26-21-6-5-20(10-22(21)27)33-11-23(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480063 (CHEMBL511928) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1ncn(n1)-c1ccc(F)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C24H23F4N5O2S/c25-20-5-7-21(8-6-20)33-14-29-22(30-33)16-2-1-15-10-18-3-4-19(11-17(15)9-16)23(18)12-32(13-24(26,27)28)36(34,35)31-23/h1-2,5-9,14,18-19,31H,3-4,10-13H2/t18-,19+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480066 (CHEMBL494588) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccccc1F)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24F4N4O2S/c26-21-3-1-2-4-23(21)32-12-22(30-15-32)17-6-5-16-10-19-7-8-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-6,9,12,15,19-20,31H,7-8,10-11,13-14H2/t19-,20+,24+/m0/s1	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480050 (CHEMBL511375) Show SMILES Cn1nc(cc1-c1ccccc1F)-c1ccc2CC3CCC(Cc2c1)C31CN(CC(F)(F)F)S(=O)(=O)N1 Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(21-4-2-3-5-22(21)27)13-23(31-33)17-7-6-16-11-19-8-9-20(12-18(16)10-17)25(19)14-34(15-26(28,29)30)37(35,36)32-25/h2-7,10,13,19-20,32H,8-9,11-12,14-15H2,1H3	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (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 MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480054 (CHEMBL506323) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1ncc(s1)N1CCC(CC1)C(F)(F)F)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H28F6N4O2S2/c26-24(27,28)14-35-13-23(33-39(35,36)37)19-3-4-20(23)11-17-9-16(2-1-15(17)10-19)22-32-12-21(38-22)34-7-5-18(6-8-34)25(29,30)31/h1-2,9,12,18-20,33H,3-8,10-11,13-14H2/t19-,20+,23+/m0/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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480053 (CHEMBL466421) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3ccc(Cl)c(Cl)c3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H25Cl2F3N4O2S/c1-34-24(17-4-7-21(27)22(28)11-17)12-23(32-34)16-3-2-15-9-19-5-6-20(10-18(15)8-16)25(19)13-35(14-26(29,30)31)38(36,37)33-25/h2-4,7-8,11-12,19-20,33H,5-6,9-10,13-14H2,1H3/t19-,20+,25+/m0/s1	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480055 (CHEMBL513674) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1ncc(s1)-c1ccc(F)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H23F4N3O2S2/c26-21-7-3-15(4-8-21)22-12-30-23(35-22)17-2-1-16-10-19-5-6-20(11-18(16)9-17)24(19)13-32(14-25(27,28)29)36(33,34)31-24/h1-4,7-9,12,19-20,31H,5-6,10-11,13-14H2/t19-,20+,24+/m0/s1	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480060 (CHEMBL466256) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)c(Cl)c1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H23Cl2F3N4O2S/c26-21-6-5-20(10-22(21)27)33-11-23(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50480061 (CHEMBL512596) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cc(-c3cccc(F)c3)n(C)n1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(18-3-2-4-22(27)12-18)13-23(31-33)17-6-5-16-10-20-7-8-21(11-19(16)9-17)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-6,9,12-13,20-21,32H,7-8,10-11,14-15H2,1H3/t20-,21+,25+/m0/s1	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50480064 (CHEMBL494769) Show SMILES [H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1cccc(F)c1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H24F4N4O2S/c26-21-2-1-3-22(11-21)32-12-23(30-15-32)17-5-4-16-9-19-6-7-20(10-18(16)8-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-5,8,11-12,15,19-20,31H,6-7,9-10,13-14H2/t19-,20+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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))	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))	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
Presenilin-1 (Homo sapiens (Human))	BDBM50480067 (CHEMBL492394) Show SMILES Cn1nc(cc1-c1ccc2CC3CCC(Cc2c1)C31CN(CC(F)(F)F)S(=O)(=O)N1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(13-23(31-33)16-4-8-22(27)9-5-16)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay				J Med Chem 52: 3441-4 (2009) Article DOI: 10.1021/jm900056p BindingDB Entry DOI: 10.7270/Q2B85BZ2
					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))	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
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))	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
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))	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))	BDBM50135577 ((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-dimethylcarba...) Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CC(=O)N(C)C)C1=O |t:16| Show InChI InChI=1S/C30H28F2N4O5/c1-17(12-18-8-10-21(31)22(32)13-18)29(38)34-28-30(39)36(15-26(37)35(2)3)23-7-5-4-6-20(23)27(33-28)19-9-11-24-25(14-19)41-16-40-24/h4-11,13-14,17,28H,12,15-16H2,1-3H3,(H,34,38)/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	5.5	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))	BDBM50185402 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H]2NS(=O)(=O)NC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClF2N2O4S2/c20-13-1-4-15(5-2-13)29(25,26)19(16-9-14(21)3-6-17(16)22)8-7-18-12(10-19)11-23-30(27,28)24-18/h1-6,9,12,18,23-24H,7-8,10-11H2/t12-,18-,19+/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	6.18	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

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