Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-1' and Ligand = 'BDBM80789'   

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-1 (Homo sapiens (Human))	BDBM80789 (8-[(1-allyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]qui...) Show SMILES [O-][N+](=O)c1nc(Sc2cccc3cccnc23)n(CC=C)n1 Show InChI InChI=1S/C14H11N5O2S/c1-2-9-18-14(16-13(17-18)19(20)21)22-11-7-3-5-10-6-4-8-15-12(10)11/h2-8H,1,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.00E+4	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/Q2765CSM
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