BDBM50389380 CHEMBL2064468
SMILES: CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
InChI Key: InChIKey=LXUNVISZTGHADK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50389380 (CHEMBL2064468) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
P. J. Safarik University Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo... | Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50389380 (CHEMBL2064468) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 47.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
P. J. Safarik University Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein... | Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50389380 (CHEMBL2064468) | 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 | 40.7 | n/a | n/a | n/a | n/a | n/a | n/a |
P. J. Safarik University Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method | Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50389380 (CHEMBL2064468) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
P. J. Safarik University Curated by ChEMBL | Assay Description Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method | Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z | |||||||||||
More data for this Ligand-Target Pair |