Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50275639'   

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))	BDBM50275639 (1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...) Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot				Bioorg Med Chem Lett 18: 6078-82 (2008) Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH
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