Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50000059   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards nicotinic acetylcholine receptor				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					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	45	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	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	106	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					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	108	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	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	146	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	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	214	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	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	281	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239823 (CHEMBL4098365) Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239831 (CHEMBL4059953) Show SMILES CCCCNC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C21H34N4O4/c1-4-5-14-22-20(27)16-25(15-8-6-7-9-19(26)23-29)21(28)17-10-12-18(13-11-17)24(2)3/h10-13,29H,4-9,14-16H2,1-3H3,(H,22,27)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239823 (CHEMBL4098365) Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239831 (CHEMBL4059953) Show SMILES CCCCNC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C21H34N4O4/c1-4-5-14-22-20(27)16-25(15-8-6-7-9-19(26)23-29)21(28)17-10-12-18(13-11-17)24(2)3/h10-13,29H,4-9,14-16H2,1-3H3,(H,22,27)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239831 (CHEMBL4059953) Show SMILES CCCCNC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C21H34N4O4/c1-4-5-14-22-20(27)16-25(15-8-6-7-9-19(26)23-29)21(28)17-10-12-18(13-11-17)24(2)3/h10-13,29H,4-9,14-16H2,1-3H3,(H,22,27)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H35N3O4/c1-17-13-18(2)15-19(14-17)23(29)26(12-8-4-7-11-21(27)25-30)16-22(28)24-20-9-5-3-6-10-20/h13-15,20,30H,3-12,16H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239823 (CHEMBL4098365) Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239817 (CHEMBL4066076) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239831 (CHEMBL4059953) Show SMILES CCCCNC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C21H34N4O4/c1-4-5-14-22-20(27)16-25(15-8-6-7-9-19(26)23-29)21(28)17-10-12-18(13-11-17)24(2)3/h10-13,29H,4-9,14-16H2,1-3H3,(H,22,27)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239817 (CHEMBL4066076) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI 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 MMDB PDB Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 expressed in Escherichia coli using Z-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate measured after 90 mins by...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1/2/3/6 (Homo sapiens (Human))	BDBM50239818 (CHEMBL4095157) Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H33N3O4/c29-23(27-32)16-5-2-8-17-28(18-24(30)26-20-12-3-1-4-13-20)25(31)22-15-9-11-19-10-6-7-14-21(19)22/h6-7,9-11,14-15,20,32H,1-5,8,12-13,16-18H2,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair

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