BindingDB PrimarySearch

BDBM28922 (2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butane-2-sulfonamido::Begacestat::GSI-953

SMILES: OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PSXOKXJMVRSARX-SCSAIBSYSA-N

Data: 6 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 28922
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Gamma-Secretase (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				J Med Chem 51: 7348-51 (2008) Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2
Wyeth Research					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
Nagoya City University Curated by ChEMBL					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
Nagoya City University Curated by ChEMBL					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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 APP cleavage in CHO cells expressing APP Swedish KM/NL mutant assessed as reduction in amyloi...				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	209	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 M1726V mutant activation in CHO K1 cells after 48 hrs by chemiluminescence assay				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28922 ((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair