Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 3171   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28920 ((2S,3S)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/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	5.45E+3	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))	BDBM28921 ((2S,3S)-N-(4-bromophenyl)-1-hydroxy-3-methylpentan...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C12H18BrNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/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	2.21E+3	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))	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))	BDBM28927 ((2R)-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-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.07E+4	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))	BDBM28924 ((2S,3S)-N-(5-chlorothiophen-2-yl)-1-hydroxy-3-meth...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C10H16ClNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3/t7-,8+/m0/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	297	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))	BDBM28925 ((2S)-N-(5-chlorothiophen-2-yl)-3-ethyl-1-hydroxype...) Show SMILES CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	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))	BDBM28923 ((2S)-N-(4-chlorophenyl)-3-ethyl-1-hydroxypentane-2...) Show SMILES CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/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	294	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