BDBM50004668 CHEMBL327135::[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-[2,4-dinitro-5-(4-nitro-phenoxy)-phenyl]-amine
SMILES: CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
InChI Key: InChIKey=LCSLDZZBWHBLFA-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50004668 (CHEMBL327135 | [2-(5-Dimethylaminomethyl-furan-2-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 270 | 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)) | BDBM50004668 (CHEMBL327135 | [2-(5-Dimethylaminomethyl-furan-2-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.10E+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 |