BDBM50052995 2-{2-[5-(2,4-Dichloro-phenyl)-pentylsulfanyl]-ethyl}-2-hydroxy-succinic acid::CHEMBL333756
SMILES: OC(=O)CC(O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
InChI Key: InChIKey=PEBJIYTXHVGTBI-UHFFFAOYSA-N
Data: 1 KI
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) | BDBM50052995 (2-{2-[5-(2,4-Dichloro-phenyl)-pentylsulfanyl]-ethy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.90E+3 | 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 rat ATP-citrate lyase activity by the 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 |