BDBM50027664 CHEMBL3338404
SMILES: ONC(=O)c1ccc2CCN(Cc3ccc(o3)-c3cccc(c3)[N+]([O-])=O)Cc2c1
InChI Key: InChIKey=PMFDRULHDRRWFP-UHFFFAOYSA-N
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 |
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Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC1 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC2 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC3 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC4 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 11 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC11 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC7 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC8 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC9 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50027664 (CHEMBL3338404) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharmaceutical Research and Early Development Curated by ChEMBL | Assay Description Inhibition of HDAC5 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay | J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V | |||||||||||
More data for this Ligand-Target Pair |