Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM167906'   

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))	BDBM167906 (N-ethyl-N-methylcarbamic acid-4-(5,6,7-trihydroxy-...) Show SMILES CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C19H17NO7/c1-3-20(2)19(25)26-11-6-4-10(5-7-11)14-8-12(21)16-15(27-14)9-13(22)17(23)18(16)24/h4-9,22-24H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...				Chem Biol Drug Des 86: 1168-77 (2015) Article DOI: 10.1111/cbdd.12580 BindingDB Entry DOI: 10.7270/Q2VM4B1P
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