Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319227'   

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))	BDBM50319227 (6-[3-(1-Phenethyl-1H-benzimidazole-5-carbonyl)-ure...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCc3ccccc3)cnc2c1 Show InChI InChI=1S/C23H27N5O4/c29-21(27-32)9-5-2-6-13-24-23(31)26-22(30)18-10-11-20-19(15-18)25-16-28(20)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15-16,32H,2,5-6,9,12-14H2,(H,27,29)(H2,24,26,30,31)	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	9.70E+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))	BDBM50319227 (6-[3-(1-Phenethyl-1H-benzimidazole-5-carbonyl)-ure...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCc3ccccc3)cnc2c1 Show InChI InChI=1S/C23H27N5O4/c29-21(27-32)9-5-2-6-13-24-23(31)26-22(30)18-10-11-20-19(15-18)25-16-28(20)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15-16,32H,2,5-6,9,12-14H2,(H,27,29)(H2,24,26,30,31)	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	9.70E+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