BDBM50066686 (S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid::CHEMBL118726
SMILES: O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
InChI Key: InChIKey=VCDSFTGSUSPFFJ-RLWLMLJZSA-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)) | BDBM50066686 ((S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 human recombinant ATP-Citrate Lyase (ACL) enzyme | J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D | |||||||||||
More data for this Ligand-Target Pair |