Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transketolase' and Ligand = 'BDBM50230588'   

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))	BDBM50230588 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1	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	28	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: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230588 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1	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	56	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230588 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1	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	25	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase by TPPK/apo-TK coupled assay				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair