Compile Data Set for Download or QSAR

Found 98 hits of ec50 for UniProtKB: P49768   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29005 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)N(CCCn1ccnc1)CC1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H32Cl2N4O5S/c1-20(18-38-27(35)32(16-21-3-4-21)13-2-12-31-14-11-30-19-31)33(26-15-24(29)6-5-22(26)17-34)39(36,37)25-9-7-23(28)8-10-25/h5-11,14-15,19-21,34H,2-4,12-13,16-18H2,1H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29004 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H30Cl2N4O5S/c1-3-30(13-4-12-29-14-11-28-18-29)25(33)36-17-19(2)31(24-15-22(27)6-5-20(24)16-32)37(34,35)23-9-7-21(26)8-10-23/h5-11,14-15,18-19,32H,3-4,12-13,16-17H2,1-2H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28989 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)N1CCC1)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,;7.88,8.85,;9.11,7.93,;8.19,6.7,;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/C21H23ClF2N2O4S2/c22-15-2-5-18(6-3-15)31(27,28)21(19-14-16(23)4-7-20(19)24)10-8-17(9-11-21)25-32(29,30)26-12-1-13-26/h2-7,14,17,25H,1,8-13H2/t17-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28987 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)c1cccs1)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,;7,9.16,;8.48,9.59,;9.35,8.31,;8.4,7.1,;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/C22H20ClF2NO4S3/c23-15-3-6-18(7-4-15)32(27,28)22(19-14-16(24)5-8-20(19)25)11-9-17(10-12-22)26-33(29,30)21-2-1-13-31-21/h1-8,13-14,17,26H,9-12H2/t17-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.25	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29011 ((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...) Show SMILES CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H27Cl3N4O4S/c1-3-30(13-4-12-29-14-11-28-17-29)24(32)35-16-18(2)31(23-15-20(26)7-10-22(23)27)36(33,34)21-8-5-19(25)6-9-21/h5-11,14-15,17-18H,3-4,12-13,16H2,1-2H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29012 (N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...) Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28980 (1-[({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoro...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)N2CCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.67,7.22,;9.67,5.68,;2.8,5.68,;1.47,4.91,;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/C22H24ClF2NO4S2/c23-17-2-5-19(6-3-17)32(29,30)22(20-14-18(24)4-7-21(20)25)10-8-16(9-11-22)15-31(27,28)26-12-1-13-26/h2-7,14,16H,1,8-13,15H2/t16-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29009 ((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...) Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23Cl3N4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.410	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29010 ((2R)-2-[(4-chlorobenzene)(2,5-dichlorophenyl)sulfo...) Show SMILES C[C@H](COC(=O)N(C)CCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H25Cl3N4O4S/c1-17(15-34-23(31)28(2)11-3-12-29-13-10-27-16-29)30(22-14-19(25)6-9-21(22)26)35(32,33)20-7-4-18(24)5-8-20/h4-10,13-14,16-17H,3,11-12,15H2,1-2H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.480	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28966 (cyclohexyl sulfone-based compound, 9 | {4-[(4-chlo...) Show SMILES CNC(=O)OC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:6.5,wD:9.12,(10.8,5.68,;9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H22ClF2NO4S/c1-25-20(26)29-13-14-8-10-21(11-9-14,18-12-16(23)4-7-19(18)24)30(27,28)17-5-2-15(22)3-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,25,26)/t14-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28976 (2-{1-[(4-chlorobenzene)sulfonyl]-4-{[(2-methoxyben...) Show SMILES COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.12,wD:15.19,(10.8,2.6,;9.47,3.37,;9.47,4.91,;10.8,5.68,;10.8,7.22,;9.47,7.99,;8.13,7.22,;8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C26H25ClF2O5S2/c1-34-24-4-2-3-5-25(24)35(30,31)17-18-12-14-26(15-13-18,22-16-20(28)8-11-23(22)29)36(32,33)21-9-6-19(27)7-10-21/h2-11,16,18H,12-15,17H2,1H3/t18-,26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29013 (4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...) Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28975 (2-[({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoro...) Show SMILES Oc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.11,wD:14.18,(9.47,3.37,;9.47,4.91,;10.8,5.68,;10.8,7.22,;9.47,7.99,;8.13,7.22,;8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C25H23ClF2O5S2/c26-18-5-8-20(9-6-18)35(32,33)25(21-15-19(27)7-10-22(21)28)13-11-17(12-14-25)16-34(30,31)24-4-2-1-3-23(24)29/h1-10,15,17,29H,11-14,16H2/t17-,25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.650	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.650	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29008 ((2R)-2-[(5-chloro-2-fluorophenyl)(4-chlorobenzene)...) Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23Cl2FN4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28988 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccccn1)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,;7.47,9.07,;8.98,9.35,;9.98,8.18,;9.47,6.73,;7.95,6.45,;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/C23H21ClF2N2O4S2/c24-16-4-7-19(8-5-16)33(29,30)23(20-15-17(25)6-9-21(20)26)12-10-18(11-13-23)28-34(31,32)22-3-1-2-14-27-22/h1-9,14-15,18,28H,10-13H2/t18-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28985 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:7.6,wD:10.13,(9.47,7.99,;8.13,7.22,;6.8,7.99,;5.47,7.22,;3.98,7.62,;5.47,8.76,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H24ClF2NO4S2/c1-2-13-30(26,27)25-17-9-11-21(12-10-17,19-14-16(23)5-8-20(19)24)31(28,29)18-6-3-15(22)4-7-18/h3-8,14,17,25H,2,9-13H2,1H3/t17-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29001 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24Cl2N4O5S/c1-16(14-33-22(30)26-9-11-27-10-8-25-15-27)28(21-12-19(24)3-2-17(21)13-29)34(31,32)20-6-4-18(23)5-7-20/h2-8,10,12,15-16,29H,9,11,13-14H2,1H3,(H,26,30)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.930	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28971 (1-({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorop...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CN2C(=O)CCC2=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;8.24,5.45,;8.65,6.94,;9.2,4.25,;8.35,2.96,;6.87,3.37,;5.66,2.41,;2.8,5.68,;1.47,4.91,;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/C23H22ClF2NO4S/c24-16-1-4-18(5-2-16)32(30,31)23(19-13-17(25)3-6-20(19)26)11-9-15(10-12-23)14-27-21(28)7-8-22(27)29/h1-6,13,15H,7-12,14H2/t15-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28968 (({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorophe...) Show SMILES NC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C20H21ClF2N2O3S/c21-14-1-4-16(5-2-14)29(27,28)20(17-11-15(22)3-6-18(17)23)9-7-13(8-10-20)12-25-19(24)26/h1-6,11,13H,7-10,12H2,(H3,24,25,26)/t13-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28979 (cyclohexyl sulfone-based compound, 23 | {4-[(4-chl...) Show SMILES CN(C)S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:7.6,wD:10.13,(8.13,7.22,;8.13,5.68,;9.47,4.91,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H24ClF2NO4S2/c1-25(2)30(26,27)14-15-9-11-21(12-10-15,19-13-17(23)5-8-20(19)24)31(28,29)18-6-3-16(22)4-7-18/h3-8,13,15H,9-12,14H2,1-2H3/t15-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29007 ((2R)-2-[(4-chlorobenzene)(2,5-difluorophenyl)sulfo...) Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23ClF2N4O4S/c1-16(14-33-22(30)27-9-2-11-28-12-10-26-15-28)29(21-13-18(24)5-8-20(21)25)34(31,32)19-6-3-17(23)4-7-19/h3-8,10,12-13,15-16H,2,9,11,14H2,1H3,(H,27,30)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28967 (N-({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorop...) Show SMILES CC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H22ClF2NO3S/c1-14(26)25-13-15-8-10-21(11-9-15,19-12-17(23)4-7-20(19)24)29(27,28)18-5-2-16(22)3-6-18/h2-7,12,15H,8-11,13H2,1H3,(H,25,26)/t15-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28972 (2-{1-[(4-chlorobenzene)sulfonyl]-4-[(cyclopropanes...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)C2CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.9,7.02,;9.67,5.68,;2.8,5.68,;1.47,4.91,;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/C22H23ClF2O4S2/c23-16-1-4-19(5-2-16)31(28,29)22(20-13-17(24)3-8-21(20)25)11-9-15(10-12-22)14-30(26,27)18-6-7-18/h1-5,8,13,15,18H,6-7,9-12,14H2/t15-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28970 ([({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES CCNS(=O)(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:8.7,wD:11.14,(12.14,4.91,;10.8,5.68,;9.47,4.91,;8.13,5.68,;7.05,6.77,;8.9,7.02,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H25ClF2N2O4S2/c1-2-25-32(29,30)26-14-15-9-11-21(12-10-15,19-13-17(23)5-8-20(19)24)31(27,28)18-6-3-16(22)4-7-18/h3-8,13,15,25-26H,2,9-12,14H2,1H3/t15-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29000 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)N1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H24Cl2N2O5S/c1-15(14-30-21(27)24-10-2-3-11-24)25(20-12-18(23)5-4-16(20)13-26)31(28,29)19-8-6-17(22)7-9-19/h4-9,12,15,26H,2-3,10-11,13-14H2,1H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28982 (cyclohexyl sulfone-based compound, 28 | {4-[(4-chl...) Show SMILES NC(=O)O[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(6.8,7.99,;5.47,7.22,;4.13,7.99,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C19H18ClF2NO4S/c20-12-1-4-15(5-2-12)28(25,26)19(16-11-13(21)3-6-17(16)22)9-7-14(8-10-19)27-18(23)24/h1-6,11,14H,7-10H2,(H2,23,24)/t14-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28977 (2-[({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoro...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.47,7.99,;10.8,7.22,;10.8,5.68,;9.47,4.91,;2.8,5.68,;1.47,4.91,;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/C24H22ClF2NO4S2/c25-18-4-7-20(8-5-18)34(31,32)24(21-15-19(26)6-9-22(21)27)12-10-17(11-13-24)16-33(29,30)23-3-1-2-14-28-23/h1-9,14-15,17H,10-13,16H2/t17-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28994 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)NCCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H24Cl2N6O5S/c1-15(13-34-21(31)24-9-2-10-28-26-14-25-27-28)29(20-11-18(23)4-3-16(20)12-30)35(32,33)19-7-5-17(22)6-8-19/h3-8,11,14-15,30H,2,9-10,12-13H2,1H3,(H,24,31)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28969 (cyclohexyl sulfone-based compound, 12 | methyl N-(...) Show SMILES COC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:6.5,wD:9.12,(10.8,5.68,;9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C21H22ClF2NO4S/c1-29-20(26)25-13-14-8-10-21(11-9-14,18-12-16(23)4-7-19(18)24)30(27,28)17-5-2-15(22)3-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,25,26)/t14-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28993 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26Cl2N4O5S/c1-17(15-34-23(31)27-9-2-11-28-12-10-26-16-28)29(22-13-20(25)4-3-18(22)14-30)35(32,33)21-7-5-19(24)6-8-21/h3-8,10,12-13,16-17,30H,2,9,11,14-15H2,1H3,(H,27,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29002 ((3R)-3-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](CCOC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26Cl2N4O5S/c1-17(8-13-34-23(31)27-10-12-28-11-9-26-16-28)29(22-14-20(25)3-2-18(22)15-30)35(32,33)21-6-4-19(24)5-7-21/h2-7,9,11,14,16-17,30H,8,10,12-13,15H2,1H3,(H,27,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28984 (N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(6.8,7.99,;5.47,7.22,;3.98,7.62,;5.47,8.76,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C19H20ClF2NO4S2/c1-28(24,25)23-15-8-10-19(11-9-15,17-12-14(21)4-7-18(17)22)29(26,27)16-5-2-13(20)3-6-16/h2-7,12,15,23H,8-11H2,1H3/t15-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28978 (cyclohexyl sulfone-based compound, 22 | {4-[(4-chl...) Show SMILES NS(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C19H20ClF2NO4S2/c20-14-1-4-16(5-2-14)29(26,27)19(17-11-15(21)3-6-18(17)22)9-7-13(8-10-19)12-28(23,24)25/h1-6,11,13H,7-10,12H2,(H2,23,24,25)/t13-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28962 (cyclohexyl sulfone-based compound, 5 | {4-[(4-chlo...) Show SMILES OC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:2.1,wD:5.8,(6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C19H19ClF2O3S/c20-14-1-4-16(5-2-14)26(24,25)19(9-7-13(12-23)8-10-19)17-11-15(21)3-6-18(17)22/h1-6,11,13,23H,7-10,12H2/t13-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28997 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)NC1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H28Cl2N2O5S/c1-16(15-32-23(29)26-20-5-3-2-4-6-20)27(22-13-19(25)8-7-17(22)14-28)33(30,31)21-11-9-18(24)10-12-21/h7-13,16,20,28H,2-6,14-15H2,1H3,(H,26,29)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29003 ((3R)-3-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](CCOC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H28Cl2N4O5S/c1-18(9-14-35-24(32)28-10-2-12-29-13-11-27-17-29)30(23-15-21(26)4-3-19(23)16-31)36(33,34)22-7-5-20(25)6-8-22/h3-8,11,13,15,17-18,31H,2,9-10,12,14,16H2,1H3,(H,28,32)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28974 (2-{4-[(benzenesulfonyl)methyl]-1-[(4-chlorobenzene...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.47,7.99,;10.8,7.22,;10.8,5.68,;9.47,4.91,;2.8,5.68,;1.47,4.91,;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/C25H23ClF2O4S2/c26-19-6-9-22(10-7-19)34(31,32)25(23-16-20(27)8-11-24(23)28)14-12-18(13-15-25)17-33(29,30)21-4-2-1-3-5-21/h1-11,16,18H,12-15,17H2/t18-,25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28960 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28992 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H22Cl2N2O5S/c1-3-22-19(25)28-12-13(2)23(18-10-16(21)5-4-14(18)11-24)29(26,27)17-8-6-15(20)7-9-17/h4-10,13,24H,3,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28990 (4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoropheny...) Show SMILES O[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.7,(5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;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/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2/t14-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10.7	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28998 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES C[C@H](COC(=O)NC(C)(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26Cl2N2O5S/c1-14(13-30-20(27)24-21(2,3)4)25(19-11-17(23)6-5-15(19)12-26)31(28,29)18-9-7-16(22)8-10-18/h5-11,14,26H,12-13H2,1-4H3,(H,24,27)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28995 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-13(2)23-20(26)29-12-14(3)24(19-10-17(22)5-4-15(19)11-25)30(27,28)18-8-6-16(21)7-9-18/h4-10,13-14,25H,11-12H2,1-3H3,(H,23,26)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28965 (2-{1-[(4-chlorobenzene)sulfonyl]-4-(iodomethyl)cyc...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H](CI)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,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,;5.47,5.68,;6.8,4.91,;2.8,5.68,;1.47,4.91,;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/C19H18ClF2IO2S/c20-14-1-4-16(5-2-14)26(24,25)19(9-7-13(12-23)8-10-19)17-11-15(21)3-6-18(17)22/h1-6,11,13H,7-10,12H2/t13-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	14.3	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...				Bioorg Med Chem Lett 16: 280-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.009 BindingDB Entry DOI: 10.7270/Q22Z13VQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28991 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H20Cl2N2O5S/c1-12(11-27-18(24)21-2)22(17-9-15(20)4-3-13(17)10-23)28(25,26)16-7-5-14(19)6-8-16/h3-9,12,23H,10-11H2,1-2H3,(H,21,24)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28996 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26Cl2N2O5S/c1-4-14(2)24-21(27)30-13-15(3)25(20-11-18(23)6-5-16(20)12-26)31(28,29)19-9-7-17(22)8-10-19/h5-11,14-15,26H,4,12-13H2,1-3H3,(H,24,27)/t14?,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				J Med Chem 51: 7348-51 (2008) Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28926 ((2S)-N-(5-chlorothiophen-2-yl)-5,5,5-trifluoro-1-h...) Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC(F)(F)F)CC(F)(F)F |r| Show InChI InChI=1S/C11H12ClF6NO3S2/c12-8-1-2-9(23-8)24(21,22)19-7(5-20)6(3-10(13,14)15)4-11(16,17)18/h1-2,6-7,19-20H,3-5H2/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				J Med Chem 51: 7348-51 (2008) Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28999 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCN(CC)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26Cl2N2O5S/c1-4-24(5-2)21(27)30-14-15(3)25(20-12-18(23)7-6-16(20)13-26)31(28,29)19-10-8-17(22)9-11-19/h6-12,15,26H,4-5,13-14H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM29006 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CC(C)N(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H32Cl2N4O5S/c1-19(2)31(13-4-12-30-14-11-29-18-30)26(34)37-17-20(3)32(25-15-23(28)6-5-21(25)16-33)38(35,36)24-9-7-22(27)8-10-24/h5-11,14-15,18-20,33H,4,12-13,16-17H2,1-3H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...				Bioorg Med Chem Lett 18: 464-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.102 BindingDB Entry DOI: 10.7270/Q2Z60MD6
					More data for this Ligand-Target Pair

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