Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50294852'   

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-4 (Homo sapiens (Human))	BDBM50294852 (3-((1R,2S)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50294852 (3-((1R,2S)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair