Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50533523'   

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))	BDBM50533523 (CHEMBL4542775) Show SMILES CCCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C Show InChI InChI=1S/C23H27FN6S/c1-6-9-30-21(11-20(28-30)23(3,4)5)27-22-26-18(13-31-22)16-7-8-19(17(24)10-16)29-12-15(2)25-14-29/h7-8,10-14H,6,9H2,1-5H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
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