BDBM50148628 CHEMBL3769629
SMILES: [H][C@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)C[C@@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO
InChI Key: InChIKey=KEGNHRHLBGEVRZ-JEWRLFTDSA-N
Data: 5 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 |
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Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50148628 (CHEMBL3769629) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant human KDAC3 using FITC-p53 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay | J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50148628 (CHEMBL3769629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant human KDAC1 using FAM-labelled substrate A incubated for 60 mins by microfluidic chip-based assay | J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Schistosoma mansoni) | BDBM50148628 (CHEMBL3769629) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay | Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50148628 (CHEMBL3769629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant human KDAC6 using FITC-histone 4 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay | J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50148628 (CHEMBL3769629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant human KDAC8 using FAM-labelled substrate B incubated for 60 mins by microfluidic chip-based assay | J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP | |||||||||||
More data for this Ligand-Target Pair |