Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319225'   

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))	BDBM50319225 (6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-ben...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H30N6O6/c27-18(24-30)6-2-1-3-9-22-20(29)23-19(28)15-7-8-16(17(14-15)26(31)32)21-10-13-25-11-4-5-12-25/h7-8,14,21,30H,1-6,9-13H2,(H,24,27)(H2,22,23,28,29)	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	2.42E+3	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))	BDBM50319225 (6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-ben...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H30N6O6/c27-18(24-30)6-2-1-3-9-22-20(29)23-19(28)15-7-8-16(17(14-15)26(31)32)21-10-13-25-11-4-5-12-25/h7-8,14,21,30H,1-6,9-13H2,(H,24,27)(H2,22,23,28,29)	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	2.42E+3	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