Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit PEN-2' and Ligand = 'BDBM50100438'   

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 PEN-2 (Homo sapiens (Human))	BDBM50100438 (2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...) Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O Show InChI InChI=1S/C19H35N3O4/c1-7-8-15(11-23)21-18(25)17(10-13(4)5)22-19(26)16(9-12(2)3)20-14(6)24/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Amyloid-beta production in APP-transfected cells at level of gamma secretase				J Med Chem 44: 2039-60 (2001) BindingDB Entry DOI: 10.7270/Q27S7PGX
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