BDBM50028685 CHEMBL3356536
SMILES: Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12
InChI Key: InChIKey=QOYHHKMVCBONOU-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)) | BDBM50028685 (CHEMBL3356536) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method | J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50028685 (CHEMBL3356536) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50028685 (CHEMBL3356536) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50028685 (CHEMBL3356536) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 542 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna Curated by ChEMBL | Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method | J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD | |||||||||||
More data for this Ligand-Target Pair |