Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50484994'   

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))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484994 (CHEMBL2019019) Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...				Bioorg Med Chem Lett 22: 3203-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG
					More data for this Ligand-Target Pair