BindingDB logo
myBDB logout

null

SMILES: OC(=O)CCc1c([nH]c2c(cc(Cl)cc12)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=SHHKTMLVDZWASS-UHFFFAOYSA-N

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 = 50101431   
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))		BDBM50101431
PNG
(CHEMBL3393935)
Show SMILES OC(=O)CCc1c([nH]c2c(cc(Cl)cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H9ClN2O6/c13-5-3-7-6(1-2-9(16)17)11(12(18)19)14-10(7)8(4-5)15(20)21/h3-4,14H,1-2H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.07E+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