Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50313192'   

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))	BDBM50313192 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-20-6-7-24(2)18(20)25(3)17-5-4-15(11-16(17)20)27-19(26)23-14-9-12(21)8-13(22)10-14/h4-5,8-11,18H,6-7H2,1-3H3,(H,23,26)/t18-,20+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
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