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SMILES: OP(O)(=O)OP(O)(=O)OCCCc1cccnc1

InChI Key: InChIKey=LJAGTTOZXGTTTF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487151   
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
4-hydroxy-3-methylbut-2-enyl diphosphate reductase


(Aquifex aeolicus)		BDBM50487151
PNG
(PYRIDIN-3-YL-PROPYL-DIPHOSPHATE)
Show SMILES OP(O)(=O)OP(O)(=O)OCCCc1cccnc1
Show InChI InChI=1S/C8H13NO7P2/c10-17(11,12)16-18(13,14)15-6-2-4-8-3-1-5-9-7-8/h1,3,5,7H,2,4,6H2,(H,13,14)(H2,10,11,12)
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.63E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate

J Am Chem Soc 132: 6719-27 (2010)


Article DOI: 10.1021/ja909664j
BindingDB Entry DOI: 10.7270/Q2474DQ5
More data for this
Ligand-Target Pair