BDBM50504581 CHEMBL4554522
SMILES: COc1ccc(CN2CCC(CC2)Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc3cc(OC)c(OC)cc23)cc1
InChI Key: InChIKey=YCEGYFYGGNMXMU-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 2 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC2 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 896 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC1 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC10 using Acetyl-Lys (trifluoroacetyl)-AMC) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 11 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC11 using Acetyl-Lys (trifluoroacetyl)-AMC) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human DNMT1 using Poly(dI-dC) as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNMT3A2/3L complex (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human DNMT3a using lambda DNA as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.42E+5 | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human G9a using core histone H3 (1 to 21 residues) as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2/3 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of HDAC1/2/3 in human KMS-12-BM cells assessed as increase in Ac-H3 level incubated for 24 hrs by Western blot analysis | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC3 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50504581![]() (CHEMBL4554522) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human HDAC8 using Arg-His-Lys (Ac)-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay | Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111755 | |||||||||||
More data for this Ligand-Target Pair |