BDBM50053000 2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydroxy-succinic acid::CHEMBL121948
SMILES: OC(=O)CC(O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O
InChI Key: InChIKey=YYQRLLLEXVHQGE-UHFFFAOYSA-N
Data: 2 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) | BDBM50053000 (2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa Curated by ChEMBL | Assay Description Inhibition of rat liver ACLY | Eur J Med Chem 157: 1276-1291 (2018) Article DOI: 10.1016/j.ejmech.2018.09.001 BindingDB Entry DOI: 10.7270/Q2N0197R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-citrate synthase (Rattus norvegicus) | BDBM50053000 (2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.20E+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 |