Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50082665'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Rattus norvegicus)	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of HDAC1 in rat liver extract				Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells				Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ
					More data for this Ligand-Target Pair