Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260421'   

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))	BDBM260421 (US9527838, 49) Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C22H17F3N6O3S3/c1-31-11-27-30-21(31)37-16-8-7-15(35-13-4-2-12(3-5-13)22(23,24)25)18(28-16)19(34)29-20-26-10-14(36-20)6-9-17(32)33/h2-5,7-8,10-11H,6,9H2,1H3,(H,32,33)(H,26,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	173	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...				US Patent US9527838 (2016) BindingDB Entry DOI: 10.7270/Q2RV0MN1
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