BDBM50373882 CHEMBL255138

SMILES: CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1

InChI Key: InChIKey=ICBBIEGXLGPMJC-UHFFFAOYSA-N

Data: 2 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50373882   

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))	BDBM50373882 (CHEMBL255138) Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+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
Transketolase (Homo sapiens (Human))	BDBM50373882 (CHEMBL255138) Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay				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))	BDBM50373882 (CHEMBL255138) Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30E+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