BDBM19159 (3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxoheptyl)-tetradecahydropyrrolo[1,2-a][,,,]cyclododecane-1,4,7,10-tetrone::chlamydocin-methylketone analog, 5
SMILES: CC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O
InChI Key: InChIKey=LROHGDHXLCJFFJ-FDFHNCONSA-N
Data: 3 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)) | BDBM19159 ((3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxoheptyl)...) | 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 | 1.08E+3 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Kyushu Institute of Technology | 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... | Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone Deacetylase 6 (HDAC6) (Mus musculus) | BDBM19159 ((3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxoheptyl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Kyushu Institute of Technology | 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... | Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM19159 ((3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxoheptyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 290 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Kyushu Institute of Technology | 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... | Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB | |||||||||||
More data for this Ligand-Target Pair |