Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50585813'   

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))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Mus musculus (Mouse))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant mouse full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 12 mM glucose by pla...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 2 mM glucose by plat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 5 mM glucose by plat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)