Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM222149'   

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))	BDBM222149 (2-methyl-6,8-dinitro-2-(3-nitro-phenyl)-2,3-dihydr...) Show SMILES CC1(NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C15H11N5O7/c1-15(8-3-2-4-9(5-8)18(22)23)16-13-11(14(21)17-15)6-10(19(24)25)7-12(13)20(26)27/h2-7,16H,1H3,(H,17,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Sargodha					Assay Description Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reactio...				Bioorg Chem 70: 237-244 (2017) Article DOI: 10.1016/j.bioorg.2017.01.004 BindingDB Entry DOI: 10.7270/Q2M0448Z
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