Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319212'   

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))	BDBM50319212 (6-[3-(4-tert-Butyl-benzoyl)-ureido]-hexanoic acid ...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H27N3O4/c1-18(2,3)14-10-8-13(9-11-14)16(23)20-17(24)19-12-6-4-5-7-15(22)21-25/h8-11,25H,4-7,12H2,1-3H3,(H,21,22)(H2,19,20,23,24)	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	24	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))	BDBM50319212 (6-[3-(4-tert-Butyl-benzoyl)-ureido]-hexanoic acid ...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H27N3O4/c1-18(2,3)14-10-8-13(9-11-14)16(23)20-17(24)19-12-6-4-5-7-15(22)21-25/h8-11,25H,4-7,12H2,1-3H3,(H,21,22)(H2,19,20,23,24)	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	2.35E+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