BDBM50052983 2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethyl]-succinic acid::CHEMBL116884

SMILES: OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=FTSYRALACFTMTN-UHFFFAOYSA-N

Data: 1 KI

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 = 50052983   

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
ATP-citrate synthase (Rattus norvegicus)	BDBM50052983 (2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethy...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair