Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50484301'   

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))	BDBM50484301 (CHEMBL1837053) Show SMILES CC(=O)Nc1cccc(c1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(cc1)C(F)(F)F |THB:22:21:11.20.10:13.18.14| Show InChI InChI=1S/C24H23F3N4O3S/c1-14(32)29-18-4-2-3-15(9-18)16-10-19-12-22-21(13-28-30-22)23(11-16)31(19)35(33,34)20-7-5-17(6-8-20)24(25,26)27/h2-9,13,16,19,23H,10-12H2,1H3,(H,28,30)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484301 (CHEMBL1837053) Show SMILES CC(=O)Nc1cccc(c1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(cc1)C(F)(F)F |THB:22:21:11.20.10:13.18.14| Show InChI InChI=1S/C24H23F3N4O3S/c1-14(32)29-18-4-2-3-15(9-18)16-10-19-12-22-21(13-28-30-22)23(11-16)31(19)35(33,34)20-7-5-17(6-8-20)24(25,26)27/h2-9,13,16,19,23H,10-12H2,1H3,(H,28,30)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated notch cleavage in human SNC-204B8 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair