BDBM25152 CHEMBL112446::N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide::ketoamide, 12
SMILES: CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
InChI Key: InChIKey=QUTIXALGBQKSDN-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)) | BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human)) | BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi... | Bioorg Med Chem Lett 13: 3331-5 (2003) BindingDB Entry DOI: 10.7270/Q2MG7RQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone Deacetylase 4 (HDAC4) Mutant (H976Y) (Homo sapiens (Human)) | BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair |