BDBM50189911 CHEMBL3827611
SMILES: [H][C@]12CC[C@]([H])(C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1)O2
InChI Key: InChIKey=SBKJRDAJADZOCH-XGBSXSJOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cereblon/Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 519 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full length human recombinant HDAC5 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylat... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells usi... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells us... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cereblon/Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged and C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues ) expressed in baculovirus coexpressed in... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50189911 (CHEMBL3827611) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged full length human recombinant HDAC8 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxy... | Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220 | |||||||||||
More data for this Ligand-Target Pair |