Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50485442'   

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))	BDBM50485442 (CHEMBL2059013) Show SMILES C[C@@]1(C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1)C#N |r,wU:3.3,wD:6.6,1.28,(-7.4,-27.53,;-7.39,-29.08,;-7.38,-30.62,;-5.85,-30.61,;-4.5,-31.36,;-3.17,-30.59,;-1.8,-31.36,;-.47,-30.59,;.86,-31.36,;2.2,-30.58,;3.53,-31.35,;2.19,-29.04,;3.52,-29.8,;-1.8,-32.9,;-.47,-33.67,;-3.13,-33.67,;-3.18,-29.03,;-3.94,-27.7,;-4.72,-29.03,;-1.84,-28.28,;-1.81,-26.74,;-.46,-25.99,;.86,-26.78,;2.2,-26.03,;.84,-28.32,;-.51,-29.08,;-5.85,-29.08,;-8.47,-27.99,;-9.56,-26.91,)| Show InChI InChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12-,15-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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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