Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50047018   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50143887 (CHEMBL3759794) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H22N4O3/c24-18(6-2-1-3-7-19(25)23-26)22-21-13-15-8-10-16(11-9-15)17-5-4-12-20-14-17/h4-5,8-14,26H,1-3,6-7H2,(H,22,24)(H,23,25)/b21-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50143884 (CHEMBL3759982) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143892 (CHEMBL3759059) Show SMILES COc1ccc(Br)c(\C=N\NC(=O)CCCCCC(=O)NO)c1 Show InChI InChI=1S/C15H20BrN3O4/c1-23-12-7-8-13(16)11(9-12)10-17-18-14(20)5-3-2-4-6-15(21)19-22/h7-10,22H,2-6H2,1H3,(H,18,20)(H,19,21)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143894 (CHEMBL3759921) Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N3O3/c25-20(10-6-1-2-7-11-21(26)24-27)23-22-16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-5,8-9,12-16,27H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)/b22-16+	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143887 (CHEMBL3759794) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H22N4O3/c24-18(6-2-1-3-7-19(25)23-26)22-21-13-15-8-10-16(11-9-15)17-5-4-12-20-14-17/h4-5,8-14,26H,1-3,6-7H2,(H,22,24)(H,23,25)/b21-13+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143894 (CHEMBL3759921) Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N3O3/c25-20(10-6-1-2-7-11-21(26)24-27)23-22-16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-5,8-9,12-16,27H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)/b22-16+	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143887 (CHEMBL3759794) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H22N4O3/c24-18(6-2-1-3-7-19(25)23-26)22-21-13-15-8-10-16(11-9-15)17-5-4-12-20-14-17/h4-5,8-14,26H,1-3,6-7H2,(H,22,24)(H,23,25)/b21-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143892 (CHEMBL3759059) Show SMILES COc1ccc(Br)c(\C=N\NC(=O)CCCCCC(=O)NO)c1 Show InChI InChI=1S/C15H20BrN3O4/c1-23-12-7-8-13(16)11(9-12)10-17-18-14(20)5-3-2-4-6-15(21)19-22/h7-10,22H,2-6H2,1H3,(H,18,20)(H,19,21)/b17-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143884 (CHEMBL3759982) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143886 (CHEMBL3758870) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H22N4O3/c24-18(7-2-1-3-8-19(25)23-26)22-21-14-15-9-11-16(12-10-15)17-6-4-5-13-20-17/h4-6,9-14,26H,1-3,7-8H2,(H,22,24)(H,23,25)/b21-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143891 (CHEMBL3758735) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C18H21N3O3S/c22-17(6-2-1-3-7-18(23)21-24)20-19-13-14-8-10-15(11-9-14)16-5-4-12-25-16/h4-5,8-13,24H,1-3,6-7H2,(H,20,22)(H,21,23)/b19-13+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143888 (CHEMBL3758281) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H22N4O3/c24-18(4-2-1-3-5-19(25)23-26)22-21-14-15-6-8-16(9-7-15)17-10-12-20-13-11-17/h6-14,26H,1-5H2,(H,22,24)(H,23,25)/b21-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143894 (CHEMBL3759921) Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N3O3/c25-20(10-6-1-2-7-11-21(26)24-27)23-22-16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-5,8-9,12-16,27H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)/b22-16+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143884 (CHEMBL3759982) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143891 (CHEMBL3758735) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C18H21N3O3S/c22-17(6-2-1-3-7-18(23)21-24)20-19-13-14-8-10-15(11-9-14)16-5-4-12-25-16/h4-5,8-13,24H,1-3,6-7H2,(H,20,22)(H,21,23)/b19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143886 (CHEMBL3758870) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H22N4O3/c24-18(7-2-1-3-8-19(25)23-26)22-21-14-15-9-11-16(12-10-15)17-6-4-5-13-20-17/h4-6,9-14,26H,1-3,7-8H2,(H,22,24)(H,23,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143889 (CHEMBL3758492) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143888 (CHEMBL3758281) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H22N4O3/c24-18(4-2-1-3-5-19(25)23-26)22-21-14-15-6-8-16(9-7-15)17-10-12-20-13-11-17/h6-14,26H,1-5H2,(H,22,24)(H,23,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143889 (CHEMBL3758492) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143884 (CHEMBL3759982) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143892 (CHEMBL3759059) Show SMILES COc1ccc(Br)c(\C=N\NC(=O)CCCCCC(=O)NO)c1 Show InChI InChI=1S/C15H20BrN3O4/c1-23-12-7-8-13(16)11(9-12)10-17-18-14(20)5-3-2-4-6-15(21)19-22/h7-10,22H,2-6H2,1H3,(H,18,20)(H,19,21)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143885 (CHEMBL3758191) Show SMILES Cc1ccccc1-c1ccc(\C=N\NC(=O)CCCCCC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O3/c1-16-7-5-6-8-19(16)18-13-11-17(12-14-18)15-22-23-20(25)9-3-2-4-10-21(26)24-27/h5-8,11-15,27H,2-4,9-10H2,1H3,(H,23,25)(H,24,26)/b22-15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143891 (CHEMBL3758735) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C18H21N3O3S/c22-17(6-2-1-3-7-18(23)21-24)20-19-13-14-8-10-15(11-9-14)16-5-4-12-25-16/h4-5,8-13,24H,1-3,6-7H2,(H,20,22)(H,21,23)/b19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143886 (CHEMBL3758870) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H22N4O3/c24-18(7-2-1-3-8-19(25)23-26)22-21-14-15-9-11-16(12-10-15)17-6-4-5-13-20-17/h4-6,9-14,26H,1-3,7-8H2,(H,22,24)(H,23,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143885 (CHEMBL3758191) Show SMILES Cc1ccccc1-c1ccc(\C=N\NC(=O)CCCCCC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O3/c1-16-7-5-6-8-19(16)18-13-11-17(12-14-18)15-22-23-20(25)9-3-2-4-10-21(26)24-27/h5-8,11-15,27H,2-4,9-10H2,1H3,(H,23,25)(H,24,26)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143887 (CHEMBL3759794) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H22N4O3/c24-18(6-2-1-3-7-19(25)23-26)22-21-13-15-8-10-16(11-9-15)17-5-4-12-20-14-17/h4-5,8-14,26H,1-3,6-7H2,(H,22,24)(H,23,25)/b21-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143888 (CHEMBL3758281) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H22N4O3/c24-18(4-2-1-3-5-19(25)23-26)22-21-14-15-6-8-16(9-7-15)17-10-12-20-13-11-17/h6-14,26H,1-5H2,(H,22,24)(H,23,25)/b21-14+	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143885 (CHEMBL3758191) Show SMILES Cc1ccccc1-c1ccc(\C=N\NC(=O)CCCCCC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O3/c1-16-7-5-6-8-19(16)18-13-11-17(12-14-18)15-22-23-20(25)9-3-2-4-10-21(26)24-27/h5-8,11-15,27H,2-4,9-10H2,1H3,(H,23,25)(H,24,26)/b22-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143895 (CHEMBL3758251) Show SMILES ONC(=O)CCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H21N3O3/c23-18(8-4-5-9-19(24)22-25)21-20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-14,25H,4-5,8-9H2,(H,21,23)(H,22,24)/b20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143889 (CHEMBL3758492) Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					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	21	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143893 (CHEMBL3758246) Show SMILES COc1cc(O)cc(OC)c1\C=N\NC(=O)CCCCCC(=O)NO Show InChI InChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143893 (CHEMBL3758246) Show SMILES COc1cc(O)cc(OC)c1\C=N\NC(=O)CCCCCC(=O)NO Show InChI InChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143895 (CHEMBL3758251) Show SMILES ONC(=O)CCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H21N3O3/c23-18(8-4-5-9-19(24)22-25)21-20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-14,25H,4-5,8-9H2,(H,21,23)(H,22,24)/b20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143895 (CHEMBL3758251) Show SMILES ONC(=O)CCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H21N3O3/c23-18(8-4-5-9-19(24)22-25)21-20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-14,25H,4-5,8-9H2,(H,21,23)(H,22,24)/b20-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143893 (CHEMBL3758246) Show SMILES COc1cc(O)cc(OC)c1\C=N\NC(=O)CCCCCC(=O)NO Show InChI InChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+	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	108	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair