Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50503690'   

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 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	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 recombinant human HDAC4				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115108 BindingDB Entry DOI: 10.7270/Q2NV9NSQ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence as...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 BindingDB Entry DOI: 10.7270/Q2G44TJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-fusion tagged/C-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected ins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113095 BindingDB Entry DOI: 10.7270/Q22Z1991
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 BindingDB Entry DOI: 10.7270/Q2G44TJZ
					More data for this Ligand-Target Pair