Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM150721'   

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 (Equus caballus (Horse))	BDBM150721 (4‐bromo‐2‐[(3‐fluorophenyl...) Show SMILES CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C17H18BrFNO5P/c1-3-23-26(22,24-4-2)25-16-9-8-12(18)10-15(16)17(21)20-14-7-5-6-13(19)11-14/h5-11H,3-4H2,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague					Assay Description The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...				Bioorg Chem 58: 48-52 (2015) Article DOI: 10.1016/j.bioorg.2014.11.005 BindingDB Entry DOI: 10.7270/Q26D5RQ1
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