BDBM50364917 CHEMBL1950316

SMILES: OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=PQHHEHIJRCJZRX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50364917   

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
Kynurenine Aminotransferase 1/Glutamine Transaminase K (Homo sapiens (Human))	BDBM50364917 (CHEMBL1950316) Show SMILES OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C12H10N2O6/c15-10(16)4-2-7-8-5-6(14(19)20)1-3-9(8)13-11(7)12(17)18/h1,3,5,13H,2,4H2,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis				Bioorg Med Chem Lett 22: 1579-81 (2012) Article DOI: 10.1016/j.bmcl.2011.12.138 BindingDB Entry DOI: 10.7270/Q2891693
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50364917 (CHEMBL1950316) Show SMILES OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C12H10N2O6/c15-10(16)4-2-7-8-5-6(14(19)20)1-3-9(8)13-11(7)12(17)18/h1,3,5,13H,2,4H2,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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