Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/6' and Ligand = 'BDBM50239825'   

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 1/2/3/6 (Homo sapiens (Human))	BDBM50239825 (CHEMBL4060958) Show SMILES CC(C)(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-23(2,22(29)24-19-14-8-4-9-15-19)26(17-11-5-10-16-20(27)25-30)21(28)18-12-6-3-7-13-18/h3,6-7,12-13,19,30H,4-5,8-11,14-17H2,1-2H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239825 (CHEMBL4060958) Show SMILES CC(C)(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-23(2,22(29)24-19-14-8-4-9-15-19)26(17-11-5-10-16-20(27)25-30)21(28)18-12-6-3-7-13-18/h3,6-7,12-13,19,30H,4-5,8-11,14-17H2,1-2H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239825 (CHEMBL4060958) Show SMILES CC(C)(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-23(2,22(29)24-19-14-8-4-9-15-19)26(17-11-5-10-16-20(27)25-30)21(28)18-12-6-3-7-13-18/h3,6-7,12-13,19,30H,4-5,8-11,14-17H2,1-2H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239825 (CHEMBL4060958) Show SMILES CC(C)(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-23(2,22(29)24-19-14-8-4-9-15-19)26(17-11-5-10-16-20(27)25-30)21(28)18-12-6-3-7-13-18/h3,6-7,12-13,19,30H,4-5,8-11,14-17H2,1-2H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair