Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM50380241'   

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
Ketohexokinase (Homo sapiens (Human))	BDBM50380241 (CHEMBL2017209) Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...				ACS Med Chem Lett 2: 538-543 (2011) Article DOI: 10.1021/ml200070g BindingDB Entry DOI: 10.7270/Q2NZ88N1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM50380241 (CHEMBL2017209) Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...				ACS Med Chem Lett 2: 538-543 (2011) Article DOI: 10.1021/ml200070g BindingDB Entry DOI: 10.7270/Q2NZ88N1
					More data for this Ligand-Target Pair				3D Structure (crystal)