Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50188907'   

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))	BDBM50188907 (CHEMBL3827548) Show SMILES CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N12O3/c1-13(2)35-16(12-33(3)23-27-10-15(11-28-23)21(36)32-37)29-17-19(34-4-6-38-7-5-34)30-18(31-20(17)35)14-8-25-22(24)26-9-14/h8-11,13,37H,4-7,12H2,1-3H3,(H,32,36)(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
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