BDBM50258366 (S)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)-3-(4-methylpiperazin-1-yl)propanamide::CHEMBL2448569
SMILES: CCC(=O)CCCCC[C@H](NC(=O)CCN1CCN(C)CC1)c1ncc([nH]1)-c1cc(OC)c2ccccc2n1
InChI Key: InChIKey=AKEVQOBVXYECOA-DEOSSOPVSA-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)) | BDBM50258366 ((S)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2...) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair |