BDBM50303940 2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-dianhydro-D-glucitol::CHEMBL570764
SMILES: Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
InChI Key: InChIKey=ZFKPOGMAKBXHRD-FCGDIQPGSA-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 2 (Homo sapiens (Human)) | BDBM50303940 (2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of human CES2-mediated pNPA substrate turnover | J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50303940 (2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...) | 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 | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of BuChE in human liver microsomes | J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1 | |||||||||||
More data for this Ligand-Target Pair |