Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319233'   

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))	BDBM50319233 (6-{3-[2-Butyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzi...) Show SMILES CCCCc1nc2cc(ccc2n1CCN1CCCC1)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C25H38N6O4/c1-2-3-9-22-27-20-18-19(11-12-21(20)31(22)17-16-30-14-7-8-15-30)24(33)28-25(34)26-13-6-4-5-10-23(32)29-35/h11-12,18,35H,2-10,13-17H2,1H3,(H,29,32)(H2,26,28,33,34)	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	2.91E+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))	BDBM50319233 (6-{3-[2-Butyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzi...) Show SMILES CCCCc1nc2cc(ccc2n1CCN1CCCC1)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C25H38N6O4/c1-2-3-9-22-27-20-18-19(11-12-21(20)31(22)17-16-30-14-7-8-15-30)24(33)28-25(34)26-13-6-4-5-10-23(32)29-35/h11-12,18,35H,2-10,13-17H2,1H3,(H,29,32)(H2,26,28,33,34)	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	2.91E+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