Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50188758'   

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))	BDBM50188758 (CHEMBL3828408) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(Cl)c(c1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H23ClF3N9O3/c1-35(23-29-10-14(11-30-23)22(38)34-39)12-17-31-18-20(36(17)2)32-19(33-21(18)37-5-7-40-8-6-37)13-3-4-16(25)15(9-13)24(26,27)28/h3-4,9-11,39H,5-8,12H2,1-2H3,(H,34,38)	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	1	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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