Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM25237'   

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))	BDBM25237 (N-(2-aminophenyl)-4-{3-cyano-5-[(4-ethylpiperazin-...) Show SMILES CCN1CCN(Cc2cnc(-c3ccc(cc3)C(=O)Nc3ccccc3N)c(c2)C#N)CC1 Show InChI InChI=1S/C26H28N6O/c1-2-31-11-13-32(14-12-31)18-19-15-22(16-27)25(29-17-19)20-7-9-21(10-8-20)26(33)30-24-6-4-3-5-23(24)28/h3-10,15,17H,2,11-14,18,28H2,1H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	22
AstraZeneca					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Affinity purified recombinant HDAC1 enzyme was incubated with acetylated histone H4 pepti...				Bioorg Med Chem Lett 18: 2525-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.058 BindingDB Entry DOI: 10.7270/Q27M067M
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