BDBM50373879 CHEMBL430409

SMILES: Cc1c(CCOP(C)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N

InChI Key: InChIKey=SCVOPPSBAGJFBD-UHFFFAOYSA-O

Data: 1 Kd

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 = 50373879   

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))	BDBM50373879 (CHEMBL430409) Show SMILES Cc1c(CCOP(C)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C13H20N4O6P2S/c1-9-12(4-5-22-24(3,18)23-25(19,20)21)26-8-17(9)7-11-6-15-10(2)16-13(11)14/h6,8H,4-5,7H2,1-3H3,(H3-,14,15,16,19,20,21)/p+1	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	170	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