Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50235295'   

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))	BDBM50235295 (CHEMBL4092997) Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
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