Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50292318'   

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))	BDBM50292318 (CHEMBL4174925) Show SMILES COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO Show InChI InChI=1S/C21H23N5O7/c1-30-14-7-5-6-13(10-14)26-20(23-19(24-26)21(28)22-11-17(27)25-29)12-8-15(31-2)18(33-4)16(9-12)32-3/h5-10,29H,11H2,1-4H3,(H,22,28)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cells after 72 hrs by ELISA				Eur J Med Chem 146: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.01.021 BindingDB Entry DOI: 10.7270/Q2HD7Z6B
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