Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50372456'   

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))	BDBM50372456 (CHEMBL271799) Show SMILES COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1 Show InChI InChI=1S/C32H37N3O3/c1-22(36)11-6-4-9-16-31(33-21-29-23(2)34-30-18-17-27(38-3)20-28(29)30)32(37)35-26-15-10-14-25(19-26)24-12-7-5-8-13-24/h5,7-8,10,12-15,17-20,31,33-34H,4,6,9,11,16,21H2,1-3H3,(H,35,37)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of human 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))	BDBM50372456 (CHEMBL271799) Show SMILES COc1ccc2[nH]c(C)c(CN[C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1 Show InChI InChI=1S/C32H37N3O3/c1-22(36)11-6-4-9-16-31(33-21-29-23(2)34-30-18-17-27(38-3)20-28(29)30)32(37)35-26-15-10-14-25(19-26)24-12-7-5-8-13-24/h5,7-8,10,12-15,17-20,31,33-34H,4,6,9,11,16,21H2,1-3H3,(H,35,37)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1 from human HeLa cells				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