Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50089134'   

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))	BDBM50089134 (CHEMBL3577728) Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCC2)c1 |r| Show InChI InChI=1S/C29H35N5O3/c1-22(21-36-3)37-27-19-24(17-25(20-27)29(35)31-28-11-15-33(2)32-28)10-9-23-7-6-8-26(18-23)30-12-16-34-13-4-5-14-34/h6-8,11,15,17-20,22,30H,4-5,12-14,16,21H2,1-3H3,(H,31,32,35)/t22-/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	6	n/a	n/a	n/a	n/a
Yuhan Research Institute Curated by ChEMBL					Assay Description Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay				ACS Med Chem Lett 6: 296-301 (2015) Article DOI: 10.1021/ml5004712 BindingDB Entry DOI: 10.7270/Q2ZP47VT
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