Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM249366'   

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))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide as substrate preincubated for 24 hrs followed by substrate addition and measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127023 BindingDB Entry DOI: 10.7270/Q23T9MS0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114090 BindingDB Entry DOI: 10.7270/Q2FF3XCC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.4	25
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair