Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50205264'   

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))	BDBM50205264 (CHEMBL3930620) Show SMILES ONC(=O)CCCCCCn1cc(nn1)-c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1 Show InChI InChI=1S/C23H23ClFN7O2/c24-17-6-5-7-19(22(17)25)28-23-16-12-15(9-10-18(16)26-14-27-23)20-13-32(31-29-20)11-4-2-1-3-8-21(33)30-34/h5-7,9-10,12-14,34H,1-4,8,11H2,(H,30,33)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 min...				Bioorg Med Chem 25: 27-37 (2017) Article DOI: 10.1016/j.bmc.2016.10.006 BindingDB Entry DOI: 10.7270/Q22N548X
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