BDBM22450 N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4-ylsulfanyl)methyl]-1,3-dioxan-2-yl}phenyl)octanediamide::N-hydroxy-N'-{4-[(2R,4S,6R)-4-phenyl-6-[(pyridin-4-ylsulfanyl)methyl]-1,3-dioxan-2-yl]phenyl}octanediamide::NK308
SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1
InChI Key: InChIKey=YHZHZWCKPHXEEJ-DILYWTOHSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 28 | -10.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame | Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... | J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 88 | -9.52 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame | Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... | J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.10E+3 | -7.04 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame | Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... | J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 | |||||||||||
More data for this Ligand-Target Pair |