BDBM50277651 CHEMBL4174514
SMILES: COc1cc2CC(CC3CCN(Cc4cc(Cl)c5ccccc5n4)CC3)C(=O)c2cc1OC
InChI Key: InChIKey=HGEXYRKZAHOORK-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 |
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Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50277651 (CHEMBL4174514) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 m... | Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50277651 (CHEMBL4174514) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane | Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN | |||||||||||
More data for this Ligand-Target Pair |