Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50499398'   

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))	BDBM50499398 (CHEMBL3735995) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r| Show InChI InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem 23: 7597-606 (2015) Article DOI: 10.1016/j.bmc.2015.11.005 BindingDB Entry DOI: 10.7270/Q27W6G6H
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