BDBM50230586 CHEMBL252845::N-((2-amino-6-methylpyridin-3-yl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)formamide

SMILES: C\C(N(Cc1ccc(C)nc1N)C=O)=C1/CCOC(=O)S1

InChI Key: InChIKey=UHNNMLVSWPGZGX-BENRWUELSA-N

Data: 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 1 hit for monomerid = 50230586   

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))	BDBM50230586 (CHEMBL252845 | N-((2-amino-6-methylpyridin-3-yl)me...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C1/CCOC(=O)S1 Show InChI InChI=1S/C14H17N3O3S/c1-9-3-4-11(13(15)16-9)7-17(8-18)10(2)12-5-6-20-14(19)21-12/h3-4,8H,5-7H2,1-2H3,(H2,15,16)/b12-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	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