BDBM24346 N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}phenyl)-N'-hydroxyoctanediamide::Triazole Ligand, 6b
SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
InChI Key: InChIKey=JTDWOKCJBXCOBD-UHFFFAOYSA-N
Data: 8 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)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | 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 | 97.8 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 294 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of HDAC1 (unknown origin) | Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111725 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of HDAC6 (unknown origin) | Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111725 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 797 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago | Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... | J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S | |||||||||||
More data for this Ligand-Target Pair |