Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50226108'   

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))	BDBM50226108 (CHEMBL238568 | N-(2-aminophenyl)-4-((4-oxo-4H-chro...) Show SMILES Nc1ccccc1NC(=O)c1ccc(Cc2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C23H18N2O3/c24-19-6-2-3-7-20(19)25-23(27)16-11-9-15(10-12-16)13-17-14-28-21-8-4-1-5-18(21)22(17)26/h1-12,14H,13,24H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 6729-33 (2007) Article DOI: 10.1016/j.bmcl.2007.10.050 BindingDB Entry DOI: 10.7270/Q2V124J9
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