Compile Data Set for Download or QSAR

Found 422 hits with Last Name = 'billadeau' and Initial = 'dd'   

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))	BDBM50261816 (CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00200	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 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267760 (3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-i...) Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15| Show InChI InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267461 (3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxyme...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H15FN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50261816 (CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	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 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of CHK1				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267607 (3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C22H15BrN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)	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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of AKT3				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267800 (3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymet...) Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2cc(CO)ccc12 |t:15| Show InChI InChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29)	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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267523 (3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4| Show InChI InChI=1S/C22H14ClFN2O4/c1-26-7-13(12-5-16(24)15(23)6-17(12)26)19-20(22(29)25-21(19)28)14-9-30-18-4-10(8-27)2-3-11(14)18/h2-7,9,27H,8H2,1H3,(H,25,28,29)	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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
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 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					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267802 (3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCC(O)=O)c12 |t:4| Show InChI InChI=1S/C24H18N2O5/c1-26-11-16(15-7-4-5-13(22(15)26)9-10-19(27)28)20-21(24(30)25-23(20)29)17-12-31-18-8-3-2-6-14(17)18/h2-8,11-12H,9-10H2,1H3,(H,27,28)(H,25,29,30)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta by scintillation counting				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24347 (N-hydroxy-N'-[4-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)23-18-14-12-17(13-15-18)20-16-27(26-24-20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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	1.38	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents 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 CDK2/Cyclin A				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair				3D Structure (docked)
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))	BDBM24346 (N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1 Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24352 (N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1 Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					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 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 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					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					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					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 6 (Homo sapiens (Human))	BDBM50261753 (5-(3-aminophenyl)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES Nc1cccc(c1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C17H22N4O4/c18-13-7-5-6-12(10-13)15-11-14(21-25-15)17(23)19-9-4-2-1-3-8-16(22)20-24/h5-7,10-11,24H,1-4,8-9,18H2,(H,19,23)(H,20,22)	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	2.54	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 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24350 (N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(F)cc2)nn1 Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)15-29-16-21(26-28-29)18-6-5-7-20(14-18)25-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-14,16,32H,1-4,8-9,15H2,(H,25,30)(H,27,31)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM24352 (N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1 Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					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))	BDBM24360 (N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1CC(O)c1cccc(Br)c1 Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-21(15-26-29-30)17-7-6-10-20(14-17)27-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,27,32)(H,28,33)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					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 6 (Homo sapiens (Human))	BDBM50258646 (CHEMBL468935 | N1-(4-(3-aminophenyl)thiazol-2-yl)-...) Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCCC(=O)NO)n1 Show InChI InChI=1S/C17H22N4O3S/c18-13-7-5-6-12(10-13)14-11-25-17(19-14)20-15(22)8-3-1-2-4-9-16(23)21-24/h5-7,10-11,24H,1-4,8-9,18H2,(H,21,23)(H,19,20,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 19: 3023-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.058 BindingDB Entry DOI: 10.7270/Q2833RXG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50258645 (CHEMBL511212 | N1-hydroxy-N8-(4-phenylthiazol-2-yl...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21)	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Bioorg Med Chem Lett 19: 3023-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.058 BindingDB Entry DOI: 10.7270/Q2833RXG
					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 6 (Homo sapiens (Human))	BDBM50258645 (CHEMBL511212 | N1-hydroxy-N8-(4-phenylthiazol-2-yl...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21)	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 19: 3023-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.058 BindingDB Entry DOI: 10.7270/Q2833RXG
					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))	BDBM24349 (N-[3-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]-N'-hy...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)24-20-12-8-11-19(15-20)21-17-28(27-25-21)16-18-9-4-3-5-10-18/h3-5,8-12,15,17,31H,1-2,6-7,13-14,16H2,(H,24,29)(H,26,30)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24353 (N-[4-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccccc1 Show InChI InChI=1S/C23H27N5O3/c29-22(10-6-1-2-7-11-23(30)26-31)25-20-14-12-19(13-15-20)21-16-24-27-28(21)17-18-8-4-3-5-9-18/h3-5,8-9,12-16,31H,1-2,6-7,10-11,17H2,(H,25,29)(H,26,30)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents 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 CDK9/cyclin T1				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24357 (N-[3-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccccc1 Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)25-20-12-8-11-19(15-20)21-16-24-27-28(21)17-18-9-4-3-5-10-18/h3-5,8-12,15-16,31H,1-2,6-7,13-14,17H2,(H,25,29)(H,26,30)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...				J Med Chem 51: 3437-48 (2008) Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents 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 CDK1/Cyclin B				J Med Chem 52: 1853-63 (2009) Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ
					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

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