Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50324112'   

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))	BDBM50324112 (CHEMBL1214763) Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:57| Show InChI InChI=1S/C51H79N7O11/c1-11-40-51(8)45-33(4)42(52-24-26-58(45)49(63)69-51)31(2)28-50(7,65-10)46(34(5)43(60)35(6)47(62)67-40)68-48-44(61)39(27-32(3)66-48)56(9)29-36-20-22-37(23-21-36)38-30-57(55-53-38)25-18-16-14-12-13-15-17-19-41(59)54-64/h20-23,30-35,39-40,44-46,48,61,64H,11-19,24-29H2,1-10H3,(H,54,59)/t31-,32-,33+,34+,35-,39+,40-,44-,45-,46-,48+,50-,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	825	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8				J Med Chem 53: 6100-11 (2010) Article DOI: 10.1021/jm100507q BindingDB Entry DOI: 10.7270/Q29Z954B
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