Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50223507'   

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))	BDBM50223507 ((1R,14S,20R,23S)-23-[5-(Pyridin-2-yldisulfanyl)-pe...) Show SMILES O=C1N[C@@H](CCCCCSSc2ccccn2)C(=O)N[C@@H]2CCCCCCCCCCCC[C@H](NC2=O)C(=O)N2CCC[C@H]12 Show InChI InChI=1S/C33H51N5O4S2/c39-30-26(18-12-9-15-24-43-44-29-21-13-14-22-34-29)36-32(41)28-20-16-23-38(28)33(42)27-19-11-8-6-4-2-1-3-5-7-10-17-25(35-30)31(40)37-27/h13-14,21-22,25-28H,1-12,15-20,23-24H2,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,27+,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC1 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
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