Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50491821'   

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))	BDBM50491821 (CHEMBL2386910) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCC(=O)NO)nn5)cc4cc3Cn1c2=O |r| Show InChI InChI=1S/C28H28N6O7/c1-2-28(38)21-11-23-25-17(12-34(23)26(36)20(21)15-41-27(28)37)9-16-10-19(6-7-22(16)29-25)40-14-18-13-33(32-30-18)8-4-3-5-24(35)31-39/h6-7,9-11,13,38-39H,2-5,8,12,14-15H2,1H3,(H,31,35)/t28-/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	116	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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