Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50302074'   

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 6 (Homo sapiens (Human))	BDBM50302074 (6-((2S,5S,8S,11S)-2-(4-aminobutyl)-11-isobutyl-8-(...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C34H49N5O6/c1-22(2)19-25-21-30(40)37-27(16-8-9-18-35)32(43)38-28(15-4-3-5-17-31(41)42)33(44)39-29(34(45)36-25)20-24-13-10-12-23-11-6-7-14-26(23)24/h6-7,10-14,22,25,27-29H,3-5,8-9,15-21,35H2,1-2H3,(H,36,45)(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t25-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302074 (6-((2S,5S,8S,11S)-2-(4-aminobutyl)-11-isobutyl-8-(...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C34H49N5O6/c1-22(2)19-25-21-30(40)37-27(16-8-9-18-35)32(43)38-28(15-4-3-5-17-31(41)42)33(44)39-29(34(45)36-25)20-24-13-10-12-23-11-6-7-14-26(23)24/h6-7,10-14,22,25,27-29H,3-5,8-9,15-21,35H2,1-2H3,(H,36,45)(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t25-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair