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SMILES: OC(=O)CCc1c([nH]c2c(ccc(Nc3ccccc3)c12)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=XPUQQZVQODUTDP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101440   
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
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50101440
PNG
(CHEMBL3393951)
Show SMILES OC(=O)CCc1c([nH]c2c(ccc(Nc3ccccc3)c12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H15N3O6/c22-14(23)9-6-11-15-12(19-10-4-2-1-3-5-10)7-8-13(21(26)27)17(15)20-16(11)18(24)25/h1-5,7-8,19-20H,6,9H2,(H,22,23)(H,24,25)
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Similars
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...

Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair