Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM27176'   

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 8 (Homo sapiens (Human))	BDBM27176 (Desclasinose Azithromycinarylalkyl Hydroxamate, 10) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O Show InChI InChI=1S/C44H76N4O12/c1-11-34-44(8,56)39(53)30(6)47(9)24-26(2)23-43(7,55)40(28(4)37(51)29(5)41(54)59-34)60-42-38(52)33(22-27(3)58-42)48(10)25-31-18-20-32(21-19-31)45-35(49)16-14-12-13-15-17-36(50)46-57/h18-21,26-30,33-34,37-40,42,51-53,55-57H,11-17,22-25H2,1-10H3,(H,45,49)(H,46,50)/t26-,27-,28+,29-,30-,33+,34-,37+,38-,39-,40-,42+,43-,44-/m1/s1	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	2.32E+3	n/a	n/a	n/a	n/a	8.0	37
Georgia Institute of Technology					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...				J Med Chem 52: 456-68 (2009) Article DOI: 10.1021/jm801128g BindingDB Entry DOI: 10.7270/Q2542KXF
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