BDBM50285590 CHEMBL4172420
SMILES: COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC
InChI Key: InChIKey=TWIPDOQQXDCJOF-UHFFFAOYSA-N
Data: 9 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 7 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | 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 | 752 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | 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 | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50285590 (CHEMBL4172420) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ... | Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR | |||||||||||
More data for this Ligand-Target Pair |