BindingDB PrimarySearch

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 2599
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))	BDBM19149 (CHEMBL98 \| N-hydroxy-N'-phenyloctanediamide \| SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	21	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 \| N-hydroxy-N'-phenyloctanediamide \| SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	48	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	-39.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 \| N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES 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	142	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 \| N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES 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	995	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 \| N-hydroxy-N'-phenyloctanediamide \| SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	2.00E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM22450 (N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10E+3	-29.5	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 \| N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES 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	6.30E+3	-29.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Notre Dame					Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...				J Med Chem 51: 2898-906 (2008) Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2
University of Notre Dame					More data for this Ligand-Target Pair