BDBM19152 (1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone::FK228 Analogue, 8a
SMILES: CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O
InChI Key: InChIKey=HSJYBAMFGRGVOF-OIFMFDPVSA-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)) | BDBM19152 ((1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-ox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60 | 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) | BDBM19152 ((1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-ox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 881 | 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 |