Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50375548'   

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 (Rattus norvegicus)	BDBM50375548 (CHEMBL259434) Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of HDAC1 in rat liver extract				Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50375548 (CHEMBL259434) Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1	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	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells				Bioorg Med Chem 16: 2011-33 (2008) Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ
					More data for this Ligand-Target Pair