Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50218869'   

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 (Homo sapiens (Human))	BDBM50218869 (CHEMBL1793938) Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(OC)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(C)=O)NC(=O)[C@@]2([H])CCCCN2CC1=O Show InChI InChI=1S/C34H49N5O6/c1-5-22(2)31-30(41)21-38-18-12-11-17-29(38)34(44)35-26(15-8-6-7-13-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-16-10-9-14-25(24)28/h9-10,14,16,20,22,26-27,29,31H,5-8,11-13,15,17-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22-,26-,27-,29+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells				Bioorg Med Chem Lett 11: 107-11 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XNX
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