Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/6' and Ligand = 'BDBM50239830'   

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))	BDBM50239830 (CHEMBL4074686) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H36N4O4/c1-26(2)20-14-12-18(13-15-20)23(30)27(16-8-4-7-11-21(28)25-31)17-22(29)24-19-9-5-3-6-10-19/h12-15,19,31H,3-11,16-17H2,1-2H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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))	BDBM50239830 (CHEMBL4074686) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H36N4O4/c1-26(2)20-14-12-18(13-15-20)23(30)27(16-8-4-7-11-21(28)25-31)17-22(29)24-19-9-5-3-6-10-19/h12-15,19,31H,3-11,16-17H2,1-2H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	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))	BDBM50239830 (CHEMBL4074686) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H36N4O4/c1-26(2)20-14-12-18(13-15-20)23(30)27(16-8-4-7-11-21(28)25-31)17-22(29)24-19-9-5-3-6-10-19/h12-15,19,31H,3-11,16-17H2,1-2H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	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))	BDBM50239830 (CHEMBL4074686) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H36N4O4/c1-26(2)20-14-12-18(13-15-20)23(30)27(16-8-4-7-11-21(28)25-31)17-22(29)24-19-9-5-3-6-10-19/h12-15,19,31H,3-11,16-17H2,1-2H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	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