BDBM50096250 CHEMBL3593658
SMILES: COCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
InChI Key: InChIKey=JMMPUTVKLCAIID-CKTMTVGTSA-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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Cholinesterases (Homo sapiens (Human)) | BDBM50096250![]() (CHEMBL3593658) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method | Bioorg Med Chem 23: 4442-52 (2015) Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |