Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transketolase' and Ligand = 'BDBM50373883'   

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
Transketolase (Homo sapiens (Human))	BDBM50373883 (CHEMBL255345) Show SMILES Cc1c(Cc2cnc(N)nc2N)csc1CCO Show InChI InChI=1S/C12H16N4OS/c1-7-9(6-18-10(7)2-3-17)4-8-5-15-12(14)16-11(8)13/h5-6,17H,2-4H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373883 (CHEMBL255345) Show SMILES Cc1c(Cc2cnc(N)nc2N)csc1CCO Show InChI InChI=1S/C12H16N4OS/c1-7-9(6-18-10(7)2-3-17)4-8-5-15-12(14)16-11(8)13/h5-6,17H,2-4H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of apo-transketolase				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair