null

SMILES: CCc1ccc(C[n+]2csc(CCO)c2C)c(N)n1

InChI Key: InChIKey=XVKINCWVNVJAPK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50373738   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transketolase (Homo sapiens (Human))	BDBM50373738 (CHEMBL256627) Show SMILES CCc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H20N3OS/c1-3-12-5-4-11(14(15)16-12)8-17-9-19-13(6-7-18)10(17)2/h4-5,9,18H,3,6-8H2,1-2H3,(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	8.70	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))	BDBM50373738 (CHEMBL256627) Show SMILES CCc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H20N3OS/c1-3-12-5-4-11(14(15)16-12)8-17-9-19-13(6-7-18)10(17)2/h4-5,9,18H,3,6-8H2,1-2H3,(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	10	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