Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50389608'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50389608 (CHEMBL2069773 | CHEMBL2069795) Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C26H22N2O6/c1-15-3-9-19(10-4-15)28-22(16-7-13-20(33-2)14-8-16)21-23(34-28)25(30)27(24(21)29)18-11-5-17(6-12-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of BuChE activity in rat plasma using butyrylcholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
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