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 = 'BDBM50185402'   

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))	BDBM50185402 ((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-6-...) Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H]2NS(=O)(=O)NC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClF2N2O4S2/c20-13-1-4-15(5-2-13)29(25,26)19(16-9-14(21)3-6-17(16)22)8-7-18-12(10-19)11-23-30(27,28)24-18/h1-6,9,12,18,23-24H,7-8,10-11H2/t12-,18-,19+/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	6.18	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of gamma secretase				Bioorg Med Chem Lett 16: 3073-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.083 BindingDB Entry DOI: 10.7270/Q2DR2V3C
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