BDBM50319981 2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine::CHEMBL1084213
SMILES: CN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1
InChI Key: InChIKey=NFCOLVLKQFZNOB-UHFFFAOYSA-N
Data: 6 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 (Electrophorus electricus (Electric eel)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of electric eel AChE | Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE | Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of equine BuChE by Ellman's method | Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method | Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of human AChE by Ellman's assay | Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo Curated by ChEMBL | Assay Description Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method | Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH | |||||||||||
More data for this Ligand-Target Pair |