BDBM50004664 CHEMBL107892::N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine
SMILES: CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
InChI Key: InChIKey=HAFSYIUXFNUVMN-UHFFFAOYSA-N
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 |
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Muscarinic acetylcholine receptor (Mus musculus) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor (Mus musculus) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description In vitro inhibition of human acetylcholinesterase. | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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 In vitro inhibition of human butryl cholinesterase. | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor (Mus musculus) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (RAT) | BDBM50004664 (CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Carolina Curated by ChEMBL | Assay Description Binding affinity of the compound against rat muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine | J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X | |||||||||||
More data for this Ligand-Target Pair |