BDBM50005493 CHEMBL12858::N-((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)l-N-[1-(((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)amino)-2-cynovinyl]amine
SMILES: [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
InChI Key: InChIKey=LPWXASFIPNYFQP-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor (Mus musculus) | BDBM50005493 (CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex | J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50005493 (CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description The compound was evaluated for the inhibition human of Butyrylcholinesterase I | J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor (Mus musculus) | BDBM50005493 (CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cort... | J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50005493 (CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Inhibition of human acetylcholinesterase-I | J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR | |||||||||||
More data for this Ligand-Target Pair |