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SMILES: COc1ccc(cc1)-c1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12

InChI Key: InChIKey=VGMVWBWFXVWYNG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101448   
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))		BDBM50101448
PNG
(CHEMBL3393946)
Show SMILES COc1ccc(cc1)-c1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12
Show InChI InChI=1S/C19H16N2O7/c1-28-11-4-2-10(3-5-11)12-6-8-14(21(26)27)18-16(12)13(7-9-15(22)23)17(20-18)19(24)25/h2-6,8,20H,7,9H2,1H3,(H,22,23)(H,24,25)
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Article
PubMed
n/an/a 1.80E+3n/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