BDBM50393452 CHEMBL2159511
SMILES: CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
InChI Key: InChIKey=AMXSRXZYBDALJG-XERREHJYSA-N
Data: 10 IC50
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)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production | ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay | ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as notch cleavage | ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-secretase (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production | ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-42 produc... | Bioorg Med Chem Lett 23: 850-3 (2013) Article DOI: 10.1016/j.bmcl.2012.11.054 BindingDB Entry DOI: 10.7270/Q2DJ5JJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells transfected with human APPSOW and APPLON after 5 hrs by sandwich imm... | Bioorg Med Chem Lett 23: 844-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.047 BindingDB Entry DOI: 10.7270/Q2J96988 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma secretase-mediated amyloid beta40 production in HEK293 cells transfected with human APPSOW and APPLON after 5 hrs by sandwich imm... | Bioorg Med Chem Lett 23: 844-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.047 BindingDB Entry DOI: 10.7270/Q2J96988 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cell membrane co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-4... | Bioorg Med Chem Lett 23: 850-3 (2013) Article DOI: 10.1016/j.bmcl.2012.11.054 BindingDB Entry DOI: 10.7270/Q2DJ5JJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-40 produc... | Bioorg Med Chem Lett 23: 850-3 (2013) Article DOI: 10.1016/j.bmcl.2012.11.054 BindingDB Entry DOI: 10.7270/Q2DJ5JJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50393452 (CHEMBL2159511) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gamma secretase-mediated amyloid beta40 production in HEK293 cell membranes transfected with human APPSOW and APPLON mutant after 5 hrs... | Bioorg Med Chem Lett 23: 844-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.047 BindingDB Entry DOI: 10.7270/Q2J96988 | |||||||||||
More data for this Ligand-Target Pair |