Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM240801'   

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))	BDBM240801 (N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES O=C(CN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H21N5O2/c28-20(13-27-9-3-4-10-27)23-15-7-8-18-16(12-15)22(29)26-21(25-18)19-11-14-5-1-2-6-17(14)24-19/h1-2,5-8,11-12,24H,3-4,9-10,13H2,(H,23,28)(H,25,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	8.0	n/a
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...				J Enzyme Inhib Med Chem 28: 583-92 (2013) Article DOI: 10.3109/14756366.2012.663363 BindingDB Entry DOI: 10.7270/Q28914SJ
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