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 = 'BDBM50186578'   

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))	BDBM50186578 (CHEMBL379926 | trans-(E)-methyl 4-(3-(4-chlorophen...) Show SMILES COC(=O)\C=C\C[C@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h2,6-12,14,16H,3-5,13,15H2,1H3/b6-2+/t16-,23-/m0/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	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase expressed in SH-SY5Y cells				Bioorg Med Chem Lett 16: 3839-42 (2006) Article DOI: 10.1016/j.bmcl.2006.04.019 BindingDB Entry DOI: 10.7270/Q2BP02DT
					More data for this Ligand-Target Pair