BDBM50163314 CHEMBL3793083

SMILES: CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=YAGYWQLXJIWAKJ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50163314   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Presenilin-1 (Homo sapiens (Human))	BDBM50163314 (CHEMBL3793083) Show SMILES CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO4S/c1-3-17(4-2)21(13-14-5-7-15(8-6-14)19(22)23)26(24,25)18-11-9-16(20)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) assessed as suppression of amyloid beta 42 production by cell-based assay				Bioorg Med Chem Lett 26: 2129-32 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9ZHM
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50163314 (CHEMBL3793083) Show SMILES CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO4S/c1-3-17(4-2)21(13-14-5-7-15(8-6-14)19(22)23)26(24,25)18-11-9-16(20)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) assessed as suppression of amyloid beta 40 production by cell-based assay				Bioorg Med Chem Lett 26: 2129-32 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9ZHM
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50163314 (CHEMBL3793083) Show SMILES CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO4S/c1-3-17(4-2)21(13-14-5-7-15(8-6-14)19(22)23)26(24,25)18-11-9-16(20)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin)-mediated amyloid beta (1 to 42) production by cell based assay				Bioorg Med Chem Lett 26: 2133-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.042 BindingDB Entry DOI: 10.7270/Q2V40Z61
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50163314 (CHEMBL3793083) Show SMILES CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO4S/c1-3-17(4-2)21(13-14-5-7-15(8-6-14)19(22)23)26(24,25)18-11-9-16(20)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin)-mediated amyloid beta (1 to 40) production by cell based assay				Bioorg Med Chem Lett 26: 2133-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.042 BindingDB Entry DOI: 10.7270/Q2V40Z61
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50163314 (CHEMBL3793083) Show SMILES CCC(CC)N(Cc1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO4S/c1-3-17(4-2)21(13-14-5-7-15(8-6-14)19(22)23)26(24,25)18-11-9-16(20)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin)-mediated notch processing by cell based assay				Bioorg Med Chem Lett 26: 2133-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.042 BindingDB Entry DOI: 10.7270/Q2V40Z61
					More data for this Ligand-Target Pair