Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50478375'   

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))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human primary neuronal cells assessed as reduction in amyloid beta 40				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin) mediated Notch signaling by cell based luciferase reporter gene assay				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair