BDBM50358313 CHEMBL1922542
SMILES: CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C(=O)N[C@@H](C)Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1
InChI Key: InChIKey=WPKAPUMSJALCTL-CPDMDARBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxylesterase (Sus scrofa) | BDBM50358313 (CHEMBL1922542) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.25E+5 | 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 | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50358313 (CHEMBL1922542) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.77E+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 |