Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/6' and Ligand = 'BDBM50239834'   

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))	BDBM50239834 (CHEMBL4062588) Show SMILES CC(C)(C)NC(=O)C(C)(C)N(CCCCCC(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C21H33N3O4/c1-20(2,3)22-19(27)21(4,5)24(15-11-7-10-14-17(25)23-28)18(26)16-12-8-6-9-13-16/h6,8-9,12-13,28H,7,10-11,14-15H2,1-5H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.25E+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))	BDBM50239834 (CHEMBL4062588) Show SMILES CC(C)(C)NC(=O)C(C)(C)N(CCCCCC(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C21H33N3O4/c1-20(2,3)22-19(27)21(4,5)24(15-11-7-10-14-17(25)23-28)18(26)16-12-8-6-9-13-16/h6,8-9,12-13,28H,7,10-11,14-15H2,1-5H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+5	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
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239834 (CHEMBL4062588) Show SMILES CC(C)(C)NC(=O)C(C)(C)N(CCCCCC(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C21H33N3O4/c1-20(2,3)22-19(27)21(4,5)24(15-11-7-10-14-17(25)23-28)18(26)16-12-8-6-9-13-16/h6,8-9,12-13,28H,7,10-11,14-15H2,1-5H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+5	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))	BDBM50239834 (CHEMBL4062588) Show SMILES CC(C)(C)NC(=O)C(C)(C)N(CCCCCC(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C21H33N3O4/c1-20(2,3)22-19(27)21(4,5)24(15-11-7-10-14-17(25)23-28)18(26)16-12-8-6-9-13-16/h6,8-9,12-13,28H,7,10-11,14-15H2,1-5H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				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