BDBM50101441 CHEMBL3393950

SMILES: CC(C)Cc1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12

InChI Key: InChIKey=UKNHCKVMEDWMAH-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 = 50101441   

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 (FBPase) (Homo sapiens (Human))	BDBM50101441 (CHEMBL3393950) Show SMILES CC(C)Cc1ccc([N+]([O-])=O)c2[nH]c(C(O)=O)c(CCC(O)=O)c12 Show InChI InChI=1S/C16H18N2O6/c1-8(2)7-9-3-5-11(18(23)24)15-13(9)10(4-6-12(19)20)14(17-15)16(21)22/h3,5,8,17H,4,6-7H2,1-2H3,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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