Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM241993'   

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))	BDBM241993 (3-{5-[4-(Dimethylamino)phenyl]-1,3,4-thiadiazol-2-...) Show SMILES CN(C)c1ccc(cc1)-c1nnc(s1)-c1c(O)cc(O)c(-c2cc(O)cc(O)c2)c1O Show InChI InChI=1S/C22H19N3O5S/c1-25(2)13-5-3-11(4-6-13)21-23-24-22(31-21)19-17(29)10-16(28)18(20(19)30)12-7-14(26)9-15(27)8-12/h3-10,26-30H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	2
University of Life Sciences					Assay Description Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...				J Enzyme Inhib Med Chem 28: 816-23 (2013) Article DOI: 10.3109/14756366.2012.688041 BindingDB Entry DOI: 10.7270/Q2WW7GJ8
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