Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319223'   

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))	BDBM50319223 (6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]...) Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C19H28N6O6/c1-23-9-11-24(12-10-23)15-7-6-14(13-16(15)25(30)31)18(27)21-19(28)20-8-4-2-3-5-17(26)22-29/h6-7,13,29H,2-5,8-12H2,1H3,(H,22,26)(H2,20,21,27,28)	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	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319223 (6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]...) Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C19H28N6O6/c1-23-9-11-24(12-10-23)15-7-6-14(13-16(15)25(30)31)18(27)21-19(28)20-8-4-2-3-5-17(26)22-29/h6-7,13,29H,2-5,8-12H2,1H3,(H,22,26)(H2,20,21,27,28)	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	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair