Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50302063'   

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 3 (Homo sapiens (Human))	BDBM50302063 (6-((5S,8S,11S)-11-isobutyl-2,2-dimethyl-8-(naphtha...) Show SMILES CC(C)C[C@H]1CC(=O)NC(C)(C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C32H44N4O6/c1-20(2)17-23-19-27(37)36-32(3,4)31(42)35-25(15-6-5-7-16-28(38)39)29(40)34-26(30(41)33-23)18-22-13-10-12-21-11-8-9-14-24(21)22/h8-14,20,23,25-26H,5-7,15-19H2,1-4H3,(H,33,41)(H,34,40)(H,35,42)(H,36,37)(H,38,39)/t23-,25-,26-/m0/s1	PDB 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	970	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair