null
SMILES: CP(=O)(OCC#C)OC(C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=XOWVPELMLPDDSD-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)) | BDBM50358311 (CHEMBL1922540) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Moscow State University Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE incubated for 12 mins before addition of acetylthiocholine iodide substrate by spectrophotometric analysis | Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver carboxylesterase (Sus scrofa) | BDBM50358311 (CHEMBL1922540) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Moscow State University Curated by ChEMBL | Assay Description Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis | Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50358311 (CHEMBL1922540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Moscow State University Curated by ChEMBL | Assay Description Inhibition of horse serum BChE incubated for 12 mins before addition of butyrylcholine iodide substrate by spectrophotometric analysis | Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65 | |||||||||||
More data for this Ligand-Target Pair |