Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50485441'   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50485441 (CHEMBL2059017) Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H16ClF3N4O4S/c16-10-1-3-11(4-2-10)28(25,26)23(8-6-13-21-9-27-22-13)12(14(20)24)5-7-15(17,18)19/h1-4,9,12H,5-8H2,(H2,20,24)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant				J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS
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