Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319231'   

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))	BDBM50319231 (6-{3-[1-(3-Dimethylamino-2,2-dimethyl-propyl)-1H-b...) Show SMILES CN(C)CC(C)(C)Cn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C22H34N6O4/c1-22(2,13-27(3)4)14-28-15-24-17-12-16(9-10-18(17)28)20(30)25-21(31)23-11-7-5-6-8-19(29)26-32/h9-10,12,15,32H,5-8,11,13-14H2,1-4H3,(H,26,29)(H2,23,25,30,31)	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	3.70E+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))	BDBM50319231 (6-{3-[1-(3-Dimethylamino-2,2-dimethyl-propyl)-1H-b...) Show SMILES CN(C)CC(C)(C)Cn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C22H34N6O4/c1-22(2,13-27(3)4)14-28-15-24-17-12-16(9-10-18(17)28)20(30)25-21(31)23-11-7-5-6-8-19(29)26-32/h9-10,12,15,32H,5-8,11,13-14H2,1-4H3,(H,26,29)(H2,23,25,30,31)	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	3.70E+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