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 = 'BDBM50157588'   

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))	BDBM50157588 ((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...) Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C44H61N5O8/c1-29(2)24-35(40(52)48-38(30(3)4)41(53)56-8)46-42(54)49(27-33-22-16-11-17-23-33)28-37(50)34(25-31-18-12-9-13-19-31)45-39(51)36(26-32-20-14-10-15-21-32)47-43(55)57-44(5,6)7/h9-23,29-30,34-38,50H,24-28H2,1-8H3,(H,45,51)(H,46,54)(H,47,55)(H,48,52)/t34-,35-,36-,37-,38-/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	2.00E+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))	BDBM50157588 ((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...) Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C44H61N5O8/c1-29(2)24-35(40(52)48-38(30(3)4)41(53)56-8)46-42(54)49(27-33-22-16-11-17-23-33)28-37(50)34(25-31-18-12-9-13-19-31)45-39(51)36(26-32-20-14-10-15-21-32)47-43(55)57-44(5,6)7/h9-23,29-30,34-38,50H,24-28H2,1-8H3,(H,45,51)(H,46,54)(H,47,55)(H,48,52)/t34-,35-,36-,37-,38-/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	8.00E+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 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