BDBM50053013 2-[6-(3,5-Dichloro-pyridin-4-yl)-hexylsulfanylmethyl]-2-hydroxy-succinic acid::CHEMBL331902

SMILES: OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O

InChI Key: InChIKey=HKCSEDLYHWYCLF-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 = 50053013   

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 (Homo sapiens (Human))	BDBM50053013 (2-[6-(3,5-Dichloro-pyridin-4-yl)-hexylsulfanylmeth...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C16H21Cl2NO5S/c17-12-8-19-9-13(18)11(12)5-3-1-2-4-6-25-10-16(24,15(22)23)7-14(20)21/h8-9,24H,1-7,10H2,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.21E+5	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 Inhibitory activity against human recombinant ATP-Citrate Lyase activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...				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