Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50188908'   

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))	BDBM50188908 (CHEMBL3828164) Show SMILES CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C25H30N12O3/c1-35(25-29-12-16(13-30-25)23(38)34-39)14-18-31-19-21(36-6-8-40-9-7-36)32-20(15-10-27-24(26)28-11-15)33-22(19)37(18)17-4-2-3-5-17/h10-13,17,39H,2-9,14H2,1H3,(H,34,38)(H2,26,27,28)	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	300	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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