BDBM19162 (3S,9S,14aR)-9-benzyl-3-(7-hydroxy-6-oxoheptyl)-6,6-dimethyl-tetradecahydropyrrolo[1,2-a][,,,]cyclododecane-1,4,7,10-tetrone::chlamydocin-hydroxymethylketone analog, 10
SMILES: CC1(C)NC(=O)[C@H](CCCCCC(=O)CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI Key: InChIKey=XXRCTSZBEZSWSN-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)) | BDBM19162 ((3S,9S,14aR)-9-benzyl-3-(7-hydroxy-6-oxoheptyl)-6,...) | 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 | 223 | 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) | BDBM19162 ((3S,9S,14aR)-9-benzyl-3-(7-hydroxy-6-oxoheptyl)-6,...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 887 | 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)) | BDBM19162 ((3S,9S,14aR)-9-benzyl-3-(7-hydroxy-6-oxoheptyl)-6,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60.4 | 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 |