Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM167913'   

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))	BDBM167913 (N,N-diethylcarbamic acid-4-[5,6,7-tris(acetyloxy)-...) Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)cc2o1 Show InChI InChI=1S/C26H25NO10/c1-6-27(7-2)26(32)36-18-10-8-17(9-11-18)20-12-19(31)23-21(37-20)13-22(33-14(3)28)24(34-15(4)29)25(23)35-16(5)30/h8-13H,6-7H2,1-5H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+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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