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 = 'BDBM50114799'   

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))	BDBM50114799 (CHEMBL3608395) Show SMILES Cc1cc(ccn1)C#Cc1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C22H17F4N5O/c1-14-11-15(9-10-27-14)5-6-16-12-31(29-28-16)20-8-7-17-18(23)3-2-4-19(17)30(21(20)32)13-22(24,25)26/h2-4,9-12,20H,7-8,13H2,1H3	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	145	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					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))	BDBM50114799 (CHEMBL3608395) Show SMILES Cc1cc(ccn1)C#Cc1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C22H17F4N5O/c1-14-11-15(9-10-27-14)5-6-16-12-31(29-28-16)20-8-7-17-18(23)3-2-4-19(17)30(21(20)32)13-22(24,25)26/h2-4,9-12,20H,7-8,13H2,1H3	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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair