Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase HKDC1 [W721R]' and Ligand = 'BDBM80712'   

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
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM80712 (2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1...) Show SMILES Oc1ccc(C=NNC(=O)CNC(=O)c2ccc3OCCOc3c2)c(O)c1 |w:6.6| Show InChI InChI=1S/C18H17N3O6/c22-13-3-1-12(14(23)8-13)9-20-21-17(24)10-19-18(25)11-2-4-15-16(7-11)27-6-5-26-15/h1-4,7-9,22-23H,5-6,10H2,(H,19,25)(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
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