Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'steinkühler' and Initial = 'c'   

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 1 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.5	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)	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	10	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25152 (CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...) Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)	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	12	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25172 (1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...) Show SMILES FC(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C15H11F2NO2S/c16-14(17)13(19)11-5-6-12(21-11)15(20)18-8-7-9-3-1-2-4-10(9)18/h1-6,14H,7-8H2	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	15	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25148 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(30-31-19-28(34-30)21-11-7-5-8-12-21)33-29(36)18-24-20(2)32-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,31,34)(H,33,36)/t27-/m0/s1	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	26	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					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 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 PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (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 PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					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	43	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					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	43	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25148 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(30-31-19-28(34-30)21-11-7-5-8-12-21)33-29(36)18-24-20(2)32-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,31,34)(H,33,36)/t27-/m0/s1	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	48	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25144 ((2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N...) Show SMILES CN1CCCCC1C(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H34N4O3S/c1-18(30)11-5-3-8-14-20(26-24(32)22-15-9-10-16-29(22)2)23(31)28-25-27-21(17-33-25)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22H,3,5,8-11,14-16H2,1-2H3,(H,26,32)(H,27,28,31)/t20-,22?/m0/s1	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	55	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					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	57	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					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	57	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM25148 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(30-31-19-28(34-30)21-11-7-5-8-12-21)33-29(36)18-24-20(2)32-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,31,34)(H,33,36)/t27-/m0/s1	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	59	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25146 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1	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	59	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25160 (N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...) Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25158 (CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 2 (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 PDB Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25163 (CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25163 (CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3	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	89	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25163 (CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM25146 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1	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	110	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)	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	120	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25160 (N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...) Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)	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	120	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25146 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1	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	120	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25162 (1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25145 ((2S)-8-oxo-2-[3-(piperidin-1-yl)propanamido]-N-(qu...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)Nc1cnc2ccccc2c1 |r| Show InChI InChI=1S/C26H36N4O3/c1-20(31)10-4-2-5-13-24(29-25(32)14-17-30-15-8-3-9-16-30)26(33)28-22-18-21-11-6-7-12-23(21)27-19-22/h6-7,11-12,18-19,24H,2-5,8-10,13-17H2,1H3,(H,28,33)(H,29,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25158 (CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25157 (CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...) Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25159 (CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...) Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25156 (N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophe...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25160 (N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacet...) Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair

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