Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319228'   

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))	BDBM50319228 (6-{3-[1-(3-Phenyl-propyl)-1H-benzimidazole-5-carbo...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCCc3ccccc3)cnc2c1 Show InChI InChI=1S/C24H29N5O4/c30-22(28-33)11-5-2-6-14-25-24(32)27-23(31)19-12-13-21-20(16-19)26-17-29(21)15-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,16-17,33H,2,5-7,10-11,14-15H2,(H,28,30)(H2,25,27,31,32)	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				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))	BDBM50319228 (6-{3-[1-(3-Phenyl-propyl)-1H-benzimidazole-5-carbo...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCCc3ccccc3)cnc2c1 Show InChI InChI=1S/C24H29N5O4/c30-22(28-33)11-5-2-6-14-25-24(32)27-23(31)19-12-13-21-20(16-19)26-17-29(21)15-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,16-17,33H,2,5-7,10-11,14-15H2,(H,28,30)(H2,25,27,31,32)	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	3.75E+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