Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50188905'   

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))	BDBM50188905 (CHEMBL3828218) Show SMILES CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H32N10O3/c1-35(27-29-14-18(15-30-27)26(38)34-39)16-21-31-22-24(36-10-12-40-13-11-36)32-23(17-6-8-19(28)9-7-17)33-25(22)37(21)20-4-2-3-5-20/h6-9,14-15,20,39H,2-5,10-13,16,28H2,1H3,(H,34,38)	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	190	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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