Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50031396   

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))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312620 (CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...) Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)	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	1.01	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312621 (CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)	PDB 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312620 (CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...) Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)	PDB 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	1.55	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312622 (CHEMBL1088735 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(O)cc2)nn1 Show InChI InChI=1S/C23H27N5O4/c29-20-12-10-17(11-13-20)15-28-16-21(25-27-28)18-6-5-7-19(14-18)24-22(30)8-3-1-2-4-9-23(31)26-32/h5-7,10-14,16,29,32H,1-4,8-9,15H2,(H,24,30)(H,26,31)	PDB 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	1.66	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312621 (CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312629 (CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...) Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312624 (CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1 Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312620 (CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...) Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)	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	2.52	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312628 (CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	PDB 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312626 (CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312624 (CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1 Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	PDB 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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312622 (CHEMBL1088735 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(O)cc2)nn1 Show InChI InChI=1S/C23H27N5O4/c29-20-12-10-17(11-13-20)15-28-16-21(25-27-28)18-6-5-7-19(14-18)24-22(30)8-3-1-2-4-9-23(31)26-32/h5-7,10-14,16,29,32H,1-4,8-9,15H2,(H,24,30)(H,26,31)	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	3.04	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312628 (CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312627 (CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312629 (CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...) Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)	PDB 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312623 (CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...) Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)	PDB 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	3.39	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312626 (CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)	PDB 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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312627 (CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312623 (CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...) Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)	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	3.85	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312630 (CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312628 (CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312623 (CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...) Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)	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	5.06	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312630 (CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312621 (CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312629 (CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...) Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312629 (CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...) Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312628 (CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM24351 (N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312622 (CHEMBL1088735 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(O)cc2)nn1 Show InChI InChI=1S/C23H27N5O4/c29-20-12-10-17(11-13-20)15-28-16-21(25-27-28)18-6-5-7-19(14-18)24-22(30)8-3-1-2-4-9-23(31)26-32/h5-7,10-14,16,29,32H,1-4,8-9,15H2,(H,24,30)(H,26,31)	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312624 (CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1 Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50312631 (CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312627 (CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312626 (CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24351 (N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312627 (CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312624 (CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1 Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50312630 (CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	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	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312626 (CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50312630 (CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB 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	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24351 (N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50312631 (CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	PDB 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	18.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50312624 (CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1 Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)	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	24.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50312628 (CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)	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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 78 total )  |  Next  |  Last  >>

Jump to: