Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50244820'   

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 1 (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/m0/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	92	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
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