null
SMILES: COc1cc2nc(cc(NCC3C4CCC3CN(C4)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
InChI Key:
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)) | BDBM50575626 (CHEMBL4876823) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50575626 (CHEMBL4876823) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of full length human C-terminal His-tagged HDAC2 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence p... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human)) | BDBM50575626 (CHEMBL4876823) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human DNMT1 enzyme using polydeoxy-inosine polydeoxy-cytosine DNA as substrate incubated for 15 mins in presence of SAM by TR-FRET assa... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50575626 (CHEMBL4876823) | 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 | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of full length human N-terminal GST-tagged HDAC6 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence p... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human)) | BDBM50575626 (CHEMBL4876823) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50575626 (CHEMBL4876823) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of full length human C-terminal His-tagged HDAC3/human N-terminal GST-agged NCOR2 using fluorogenic acetylated peptide as substrate incuba... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V | |||||||||||
More data for this Ligand-Target Pair |