BDBM118219 US8673966, N-(4-(7-((1-(3-methoxypropanoyl)azetidin-3- yl)ethynyl)-4-oxo-4H-chromen-3-yl)phenyl)methanesulfonamide
SMILES: COCCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
InChI Key: InChIKey=VVIDTUJVSXQZSZ-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM118219 (US8673966, N-(4-(7-((1-(3-methoxypropanoyl)azetidi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ... | US Patent US8673966 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM118219 (US8673966, N-(4-(7-((1-(3-methoxypropanoyl)azetidi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.30E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti... | US Patent US8673966 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM118219 (US8673966, N-(4-(7-((1-(3-methoxypropanoyl)azetidi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.30E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti... | US Patent US8673966 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28MX | |||||||||||
More data for this Ligand-Target Pair |