BDBM50195129 (S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-N-(3-methoxyphenyl)-8-oxononanamide::CHEMBL384804
SMILES: COc1cccc(NC(=O)[C@H](CCCCCC(C)=O)NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1
InChI Key: InChIKey=MLIHNRMUTTYDTK-SANMLTNESA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50195129 ((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of HDAC1 (mean IC50) | Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD | |||||||||||
More data for this Ligand-Target Pair |