Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50540184'   

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))	BDBM50540184 (CHEMBL4643627) Show SMILES CC(=O)N1CCC(CC1)c1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2cccc3ncccc23)n1 Show InChI InChI=1S/C28H25N7O2S2/c1-18(36)35-14-10-19(11-15-35)26-32-28(39-34-26)33-27-24(16-20(17-31-27)38-25-9-2-3-12-30-25)37-23-8-4-7-22-21(23)6-5-13-29-22/h2-9,12-13,16-17,19H,10-11,14-15H2,1H3,(H,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	504	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Activation of glucokinase (unknown origin) in presence of 4% human serum albumin				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115232 BindingDB Entry DOI: 10.7270/Q2XW4PB7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50540184 (CHEMBL4643627) Show SMILES CC(=O)N1CCC(CC1)c1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2cccc3ncccc23)n1 Show InChI InChI=1S/C28H25N7O2S2/c1-18(36)35-14-10-19(11-15-35)26-32-28(39-34-26)33-27-24(16-20(17-31-27)38-25-9-2-3-12-30-25)37-23-8-4-7-22-21(23)6-5-13-29-22/h2-9,12-13,16-17,19H,10-11,14-15H2,1H3,(H,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Activation of glucokinase (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115232 BindingDB Entry DOI: 10.7270/Q2XW4PB7
					More data for this Ligand-Target Pair