Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50196608'   

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))	BDBM50196608 (7-(4-((4-chlorobenzyl)(methyl)amino)phenoxy)-N-hyd...) Show SMILES CN(Cc1ccc(Cl)cc1)c1ccc(OCCCCCCC(=O)NO)cc1 Show InChI InChI=1S/C21H27ClN2O3/c1-24(16-17-7-9-18(22)10-8-17)19-11-13-20(14-12-19)27-15-5-3-2-4-6-21(25)23-26/h7-14,26H,2-6,15-16H2,1H3,(H,23,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source				Bioorg Med Chem Lett 17: 136-41 (2006) Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ
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