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SMILES: Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1ccc(C)nc1N

InChI Key: InChIKey=JHNXLHRDUXBCJW-UHFFFAOYSA-O

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373729   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Transketolase


(Homo sapiens (Human))		BDBM50373729
PNG
(CHEMBL401817)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1ccc(C)nc1N |w:6.6|
Show InChI InChI=1S/C13H19N3O7P2S/c1-9-3-4-11(13(14)15-9)7-16-8-26-12(10(16)2)5-6-22-25(20,21)23-24(17,18)19/h3-4,8H,5-7H2,1-2H3,(H4-,14,15,17,18,19,20,21)/p+1
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n/an/an/a 22n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity to apo-transketolase

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