Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50302075'   

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))	BDBM50302075 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-isobutyl...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C36H51N5O7/c1-23(2)20-27-22-32(43)39-29(17-9-10-19-37-24(3)42)34(46)40-30(16-5-4-6-18-33(44)45)35(47)41-31(36(48)38-27)21-26-14-11-13-25-12-7-8-15-28(25)26/h7-8,11-15,23,27,29-31H,4-6,9-10,16-22H2,1-3H3,(H,37,42)(H,38,48)(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t27-,29-,30-,31-/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	190	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