Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/6' and Ligand = 'BDBM50239826'   

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))	BDBM50239826 (CHEMBL4082838) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)C(C)(C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H40N4O4/c1-25(2,24(32)26-20-11-7-5-8-12-20)29(18-10-6-9-13-22(30)27-33)23(31)19-14-16-21(17-15-19)28(3)4/h14-17,20,33H,5-13,18H2,1-4H3,(H,26,32)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+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))	BDBM50239826 (CHEMBL4082838) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)C(C)(C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H40N4O4/c1-25(2,24(32)26-20-11-7-5-8-12-20)29(18-10-6-9-13-22(30)27-33)23(31)19-14-16-21(17-15-19)28(3)4/h14-17,20,33H,5-13,18H2,1-4H3,(H,26,32)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+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))	BDBM50239826 (CHEMBL4082838) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)C(C)(C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H40N4O4/c1-25(2,24(32)26-20-11-7-5-8-12-20)29(18-10-6-9-13-22(30)27-33)23(31)19-14-16-21(17-15-19)28(3)4/h14-17,20,33H,5-13,18H2,1-4H3,(H,26,32)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+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))	BDBM50239826 (CHEMBL4082838) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)C(C)(C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H40N4O4/c1-25(2,24(32)26-20-11-7-5-8-12-20)29(18-10-6-9-13-22(30)27-33)23(31)19-14-16-21(17-15-19)28(3)4/h14-17,20,33H,5-13,18H2,1-4H3,(H,26,32)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+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