BDBM50101438 CHEMBL3393953

SMILES: COc1ccc(Nc2ccc([N+]([O-])=O)c3[nH]c(C(O)=O)c(CCC(O)=O)c23)cc1

InChI Key: InChIKey=UKZNNPHDFJNBKR-UHFFFAOYSA-N

Data: 1 IC50

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 = 50101438   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50101438 (CHEMBL3393953) Show SMILES COc1ccc(Nc2ccc([N+]([O-])=O)c3[nH]c(C(O)=O)c(CCC(O)=O)c23)cc1 Show InChI InChI=1S/C19H17N3O7/c1-29-11-4-2-10(3-5-11)20-13-7-8-14(22(27)28)18-16(13)12(6-9-15(23)24)17(21-18)19(25)26/h2-5,7-8,20-21H,6,9H2,1H3,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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