SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3
BDBM50328678

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC6 expressed in baculovirus expression system using FITC-Histone 4 acetylated peptide as substrate after 60 mins by microfluid...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged KDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expressi...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC6 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal FLAG/His-tagged KDAC1 expressed in baculovirus expression system using substrate A after 60 mins by microf...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC3 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC1 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC8 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC4 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC5 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC10 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-tagged human HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa nuclear extract using Fluor de Lys as substrate by fluorimetric method				ACS Med Chem Lett 8: 1218-1223 (2017) Article DOI: 10.1021/acsmedchemlett.7b00289 BindingDB Entry DOI: 10.7270/Q22N54T3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC1 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924 BindingDB Entry DOI: 10.7270/Q2280BWS
University of Naples Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC3 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924 BindingDB Entry DOI: 10.7270/Q2280BWS
University of Naples Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC9 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC2 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC8 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924 BindingDB Entry DOI: 10.7270/Q2280BWS
University of Naples Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-tagged human HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells using RHK-K(Ac)-AMC as...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney					Assay Description A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...				Chembiochem 18: 368-373 (2017) Article DOI: 10.1002/cbic.201600636 BindingDB Entry DOI: 10.7270/Q2RV0MH7
The University of Sydney					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC7 by in vitro deacetylation assay				Nat Chem Biol 6: 25-33 (2009) Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114573 BindingDB Entry DOI: 10.7270/Q2XK8KJ3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 7285 Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay				ACS Med Chem Lett 10: 863-868 (2019) Article DOI: 10.1021/acsmedchemlett.8b00440 BindingDB Entry DOI: 10.7270/Q23J3HDS
UMR CNRS 7285 Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged KDAC8 expressed in baculovirus expression system using (FAM)-labeled peptide as substrate after...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC11 after 30 mins using fluorogenic substrate by fluorimetric assay				J Med Chem 61: 6574-6591 (2018) Article DOI: 10.1021/acs.jmedchem.8b00050 BindingDB Entry DOI: 10.7270/Q2W95DGX
Universit£ Paris-Saclay Curated by ChEMBL					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney					Assay Description A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...				Chembiochem 18: 368-373 (2017) Article DOI: 10.1002/cbic.201600636 BindingDB Entry DOI: 10.7270/Q2RV0MH7
The University of Sydney					More data for this Ligand-Target Pair