Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2' and Ligand = 'BDBM50157586'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157586 ((S)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...) Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33-/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	600	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA				J Med Chem 47: 6485-9 (2004) Article DOI: 10.1021/jm049566e BindingDB Entry DOI: 10.7270/Q2MK6DP8
					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))	BDBM50157586 ((S)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...) Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33-/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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA				J Med Chem 47: 6485-9 (2004) Article DOI: 10.1021/jm049566e BindingDB Entry DOI: 10.7270/Q2MK6DP8
					More data for this Ligand-Target Pair