Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50001565   

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))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	64	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	73	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	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	111	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	214	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	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	398	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	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	421	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	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	561	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	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	752	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 7 (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	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 9 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells ...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addi...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by su...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair