Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM10516'   

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))	BDBM10516 (6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12 Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN
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