Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50220245'   

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))	BDBM50220245 (CHEMBL538906 | N-(2-aminophenyl)-6-((3S,5R)-3,5-di...) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C18H23N5O/c1-12-10-23(11-13(2)21-12)17-8-7-14(9-20-17)18(24)22-16-6-4-3-5-15(16)19/h3-9,12-13,21H,10-11,19H2,1-2H3,(H,22,24)/t12-,13+	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	821	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
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