BDBM206287 (S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)propan-2-yl)-N4-hydroxyterephthalamide (12m)
SMILES: Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)NO)c2c[nH]c3ccccc23)cc1
InChI Key:
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 acetylases (HDACs) (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 11 (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM206287 ((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University | Assay Description To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class... | Chem Biol Drug Des 89: 38-46 (2017) Article DOI: 10.1111/cbdd.12819 BindingDB Entry DOI: 10.7270/Q2SQ8Z69 | |||||||||||
More data for this Ligand-Target Pair |