BDBM50154337 6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-tetraoxo-tetradecahydro-3a,6,9,12-tetraaza-cyclopentacyclododecen-11-yl)-hexanoic acid hydroxyamide::6-((9S,13aR)-5-(S)-1-Benzyl-8,8-dimethyl-4,7,10,13-tetraoxo-tetradecahydro-3a,6,9,12-tetraaza-cyclopentacyclododecen-11-yl)-hexanoic acid hydroxyamide::CHEMBL360194
SMILES: CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI Key: InChIKey=XWZYWFHHLWISBR-SLFFLAALSA-N
Data: 6 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 (Rattus norvegicus) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg Curated by ChEMBL | Assay Description Inhibition of HDAC1 in rat liver extract | Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells | Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hdac5 protein (Rattus norvegicus) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Inhibitory activity against rat liver Histone deacetylase with substrate 3b | J Med Chem 47: 5235-43 (2004) Article DOI: 10.1021/jm0497592 BindingDB Entry DOI: 10.7270/Q2086839 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hdac5 protein (Rattus norvegicus) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Inhibitory activity against rat liver Histone deacetylase with substrate 3a | J Med Chem 47: 5235-43 (2004) Article DOI: 10.1021/jm0497592 BindingDB Entry DOI: 10.7270/Q2086839 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hdac5 protein (Rattus norvegicus) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Inhibitory activity against rat liver Histone deacetylase with substrate 5b | J Med Chem 47: 5235-43 (2004) Article DOI: 10.1021/jm0497592 BindingDB Entry DOI: 10.7270/Q2086839 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50154337 (6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells | Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ | |||||||||||
More data for this Ligand-Target Pair |