Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319221'   

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))	BDBM50319221 (6-[3-(3-Nitro-4-pyrrolidin-1-yl-benzoyl)-ureido]-h...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H25N5O6/c24-16(21-27)6-2-1-3-9-19-18(26)20-17(25)13-7-8-14(15(12-13)23(28)29)22-10-4-5-11-22/h7-8,12,27H,1-6,9-11H2,(H,21,24)(H2,19,20,25,26)	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	20	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))	BDBM50319221 (6-[3-(3-Nitro-4-pyrrolidin-1-yl-benzoyl)-ureido]-h...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H25N5O6/c24-16(21-27)6-2-1-3-9-19-18(26)20-17(25)13-7-8-14(15(12-13)23(28)29)22-10-4-5-11-22/h7-8,12,27H,1-6,9-11H2,(H,21,24)(H2,19,20,25,26)	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	3.45E+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