BDBM19154 (6R,9R,12R,16R)-9,12-dimethyl-6-(propan-2-yl)-16-[(1E)-4-sulfanylbut-1-en-1-yl]-1-oxa-4,7,10,13-tetraazacyclohexadecane-2,5,8,11,14-pentone::FK228 Analogue, 15a
SMILES: CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCS
InChI Key: InChIKey=ZUKSPXZKBQODPU-TZZYIPBMSA-N
Data: 2 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)) | BDBM19154 ((6R,9R,12R,16R)-9,12-dimethyl-6-(propan-2-yl)-16-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Southampton | Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... | J Med Chem 50: 5720-5726 (2007) Article DOI: 10.1021/jm0703800 BindingDB Entry DOI: 10.7270/Q2ST7N4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone Deacetylase 6 (HDAC6) (Mus musculus) | BDBM19154 ((6R,9R,12R,16R)-9,12-dimethyl-6-(propan-2-yl)-16-[...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.92E+3 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Southampton | Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... | J Med Chem 50: 5720-5726 (2007) Article DOI: 10.1021/jm0703800 BindingDB Entry DOI: 10.7270/Q2ST7N4B | |||||||||||
More data for this Ligand-Target Pair |