BDBM50164518 CHEMBL3800394
SMILES: COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
InChI Key: InChIKey=MRHRACKJKBOJEI-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50164518 (CHEMBL3800394) | 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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC1 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins... | J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50164518 (CHEMBL3800394) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins... | J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Schistosoma mansoni) | BDBM50164518 (CHEMBL3800394) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 76 | 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 | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 8 (Schistosoma mansoni) | BDBM50164518 (CHEMBL3800394) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b... | J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50164518 (CHEMBL3800394) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ... | J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC | |||||||||||
More data for this Ligand-Target Pair |