Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50499401'   

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))	BDBM50499401 (CHEMBL3735770) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r| Show InChI InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,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	1.55E+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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