Compile Data Set for Download or QSAR

Found 1 hit 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 = 'BDBM50223749'   

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))	BDBM50223749 (CHEMBL332977) Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)c2ccccc2C1=O Show InChI InChI=1S/C24H34N4O4/c1-15(2)28-23(31)19-13-9-8-12-18(19)21(24(32)27(28)4)26-22(30)16(3)25-20(29)14-17-10-6-5-7-11-17/h8-9,12-13,15-17,21H,5-7,10-11,14H2,1-4H3,(H,25,29)(H,26,30)/t16-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase activity				Bioorg Med Chem Lett 14: 3539-43 (2004) BindingDB Entry DOI: 10.7270/Q20K2BR7
					More data for this Ligand-Target Pair