Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50503949'   

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))	BDBM50503949 (CHEMBL4561458) Show SMILES COc1ccc(cn1)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H26N4O4/c1-15-18-11-17(16-8-9-21(29-2)23-13-16)12-19(22(18)25-14-24-15)30-10-6-4-3-5-7-20(27)26-28/h8-9,11-14,28H,3-7,10H2,1-2H3,(H,26,27)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su...				J Med Chem 62: 6992-7014 (2019) Article DOI: 10.1021/acs.jmedchem.9b00390 BindingDB Entry DOI: 10.7270/Q2RF5Z80
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