BDBM50052987 2-[6-(4-Chloro-2-nitro-phenyl)-hexylsulfanylmethyl]-2-hydroxy-succinic acid::CHEMBL120265
SMILES: OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1[N+]([O-])=O)C(O)=O
InChI Key: InChIKey=YLGDVICWNSZSHH-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 (Homo sapiens (Human)) | BDBM50052987 (2-[6-(4-Chloro-2-nitro-phenyl)-hexylsulfanylmethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.60E+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 Inhibitory activity against rat ATP-Citrate Lyase activity was measured 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 |