Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/6' and Ligand = 'BDBM50239818'   

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))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor				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))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	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))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+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