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 = 'BDBM50157575'   

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))	BDBM50157575 ((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...) Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C29H48N4O7/c1-18(2)15-22(25(35)32-24(19(3)4)26(36)39-9)30-27(37)33(8)17-23(34)21(16-20-13-11-10-12-14-20)31-28(38)40-29(5,6)7/h10-14,18-19,21-24,34H,15-17H2,1-9H3,(H,30,37)(H,31,38)(H,32,35)/t21-,22-,23-,24-/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 isolated from HeLa cells 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))	BDBM50157575 ((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...) Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C29H48N4O7/c1-18(2)15-22(25(35)32-24(19(3)4)26(36)39-9)30-27(37)33(8)17-23(34)21(16-20-13-11-10-12-14-20)31-28(38)40-29(5,6)7/h10-14,18-19,21-24,34H,15-17H2,1-9H3,(H,30,37)(H,31,38)(H,32,35)/t21-,22-,23-,24-/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	1.20E+4	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 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