Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transketolase' and Ligand = 'BDBM50230593'   

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))	BDBM50230593 (3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/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	9	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))	BDBM50230593 (3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/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	9	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))	BDBM50230593 (3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/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	46	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