Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50372457'   

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))	BDBM50372457 (CHEMBL260959 | US8648092, 45) Show SMILES CC(C)(C)NCc1c(nc2cc(\C=C\C(=O)NO)ccn12)-c1ccccc1 Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50372457 (CHEMBL260959 | US8648092, 45) Show SMILES CC(C)(C)NCc1c(nc2cc(\C=C\C(=O)NO)ccn12)-c1ccccc1 Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)22-14-17-20(16-7-5-4-6-8-16)23-18-13-15(11-12-25(17)18)9-10-19(26)24-27/h4-13,22,27H,14H2,1-3H3,(H,24,26)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	7.5	25
MEI Pharma US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US8648092 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TBG
					More data for this Ligand-Target Pair