Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM167910'   

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))	BDBM167910 (4-(Phenylmethyl)-1-piperidinecarboxylic acid-4-(5,...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H25NO7/c30-21-15-23(36-24-16-22(31)26(32)27(33)25(21)24)19-6-8-20(9-7-19)35-28(34)29-12-10-18(11-13-29)14-17-4-2-1-3-5-17/h1-9,15-16,18,31-33H,10-14H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+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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