Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM227582'   

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))	BDBM227582 (2-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
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