Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50387320'   

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))	BDBM50387320 (CHEMBL2046609) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)N2CCc3nc(sc3C2)C(=O)NO)cc1 Show InChI InChI=1S/C24H22N4O5S/c1-33-18-9-2-15(3-10-18)4-11-21(29)25-17-7-5-16(6-8-17)24(31)28-13-12-19-20(14-28)34-23(26-19)22(30)27-32/h2-11,32H,12-14H2,1H3,(H,25,29)(H,27,30)/b11-4+	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	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
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