Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50250139'   

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))	BDBM50250139 (CHEMBL4059703) Show SMILES ONC(=O)\C=C\c1ccc(NCCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C21H21N7O2/c29-19(27-30)7-4-15-2-5-17(6-3-15)22-9-1-11-28-13-16(12-26-28)20-18-8-10-23-21(18)25-14-24-20/h2-8,10,12-14,22,30H,1,9,11H2,(H,27,29)(H,23,24,25)/b7-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R...				J Med Chem 60: 8336-8357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6
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