Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50468973'   

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))	BDBM50468973 (CHEMBL4294088) Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1 Show InChI InChI=1S/C23H29N3O4S/c1-22(2,3)30-21(28)25-12-10-23(11-13-25)15-26(18-7-5-4-6-17(18)23)14-16-8-9-19(31-16)20(27)24-29/h4-9,29H,10-15H2,1-3H3,(H,24,27)	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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...				Eur J Med Chem 157: 127-138 (2018) Article DOI: 10.1016/j.ejmech.2018.07.069 BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
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