Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50491820'   

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))	BDBM50491820 (CHEMBL2386907) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OCc3cn(CCCCCC(=O)NO)nn3)cc12 |r| Show InChI InChI=1S/C31H34N6O7/c1-3-20-21-12-19(43-16-18-14-36(35-33-18)11-7-5-6-8-27(38)34-42)9-10-25(21)32-28-22(20)15-37-26(28)13-24-23(29(37)39)17-44-30(40)31(24,41)4-2/h9-10,12-14,41-42H,3-8,11,15-17H2,1-2H3,(H,34,38)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3283-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.108 BindingDB Entry DOI: 10.7270/Q2B56NN3
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