Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endochitinase B1 [D246A]'   

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
Endochitinase B1 [D246A] (Aspergillus fumigatus)	BDBM10850 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...) Show SMILES CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...				Chem Biol 12: 973-80 (2005) Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG
					More data for this Ligand-Target Pair				3D Structure (crystal)