BDBM50133473 CHEMBL3632994
SMILES: Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
InChI Key: InChIKey=MATYDNFWBAVIBC-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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Acetylcholinesterase (Homo sapiens (Human)) | BDBM50133473 (CHEMBL3632994) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Hradec Kralove Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured... | J Med Chem 58: 8985-9003 (2015) BindingDB Entry DOI: 10.7270/Q29P33GZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50133473 (CHEMBL3632994) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences Curated by ChEMBL | Assay Description Inhibition of BuChE (unknown origin) | Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50133473 (CHEMBL3632994) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences Curated by ChEMBL | Assay Description Inhibition of Ache (unknown origin) | Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50133473 (CHEMBL3632994) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min... | J Med Chem 58: 8985-9003 (2015) BindingDB Entry DOI: 10.7270/Q29P33GZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50133473 (CHEMBL3632994) | 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 | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins... | J Med Chem 58: 8985-9003 (2015) BindingDB Entry DOI: 10.7270/Q29P33GZ | |||||||||||
More data for this Ligand-Target Pair |