BDBM50230598 CHEMBL253045::N-((2-amino-6-methylpyridin-3-yl)methyl)-N-(5-hydroxy-3-(2-(2-hydroxyethyl)disulfanyl)pent-2-en-2-yl)formamide

SMILES: C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCO

InChI Key: InChIKey=FCCGEXURUZVJFI-OWBHPGMISA-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 = 50230598   

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))	BDBM50230598 (CHEMBL253045 | N-((2-amino-6-methylpyridin-3-yl)me...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCO Show InChI InChI=1S/C15H23N3O3S2/c1-11-3-4-13(15(16)17-11)9-18(10-21)12(2)14(5-6-19)23-22-8-7-20/h3-4,10,19-20H,5-9H2,1-2H3,(H2,16,17)/b14-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	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