Compile Data Set for Download or QSAR

Found 365 hits with Last Name = 'villagra' and Initial = 'a'   

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))	BDBM50247556 (CHEMBL4104117) Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50274998 (CHEMBL4126811) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H24N4O6/c1-23(2,3)32-22(30)25-17-10-8-15(9-11-17)19-12-18(27-33-19)21(29)24-13-14-4-6-16(7-5-14)20(28)26-31/h4-12,31H,13H2,1-3H3,(H,24,29)(H,25,30)(H,26,28)	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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50560908 (CHEMBL4777296) Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279258 (CHEMBL4177129) Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252391 (CHEMBL4080014) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using RHK-K(Ac)-A...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279258 (CHEMBL4177129) Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Evaluated for inhibition of Protease after after resynthesis and purification				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50560909 (CHEMBL4759584) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337665 (US10227295, Compound JB7-19 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C20H23N5O3/c1-2-3-10-25(13-14-4-6-15(7-5-14)19(26)24-28)20(27)22-17-9-8-16-12-21-23-18(16)11-17/h4-9,11-12,28H,2-3,10,13H2,1H3,(H,21,23)(H,22,27)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM239060 (US10227295, Compound 9b | US9409858, 9b | US975183...) Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM239060 (US10227295, Compound 9b | US9409858, 9b | US975183...) Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM239060 (US10227295, Compound 9b | US9409858, 9b | US975183...) Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM239060 (US10227295, Compound 9b | US9409858, 9b | US975183...) Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM417049 (4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...) Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398725 (CHEMBL2179249 | US10227295, Compound 5b | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.38	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398725 (CHEMBL2179249 | US10227295, Compound 5b | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398725 (CHEMBL2179249 | US10227295, Compound 5b | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398725 (CHEMBL2179249 | US10227295, Compound 5b | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398725 (CHEMBL2179249 | US10227295, Compound 5b | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337665 (US10227295, Compound JB7-19 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C20H23N5O3/c1-2-3-10-25(13-14-4-6-15(7-5-14)19(26)24-28)20(27)22-17-9-8-16-12-21-23-18(16)11-17/h4-9,11-12,28H,2-3,10,13H2,1H3,(H,21,23)(H,22,27)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.54	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337665 (US10227295, Compound JB7-19 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C20H23N5O3/c1-2-3-10-25(13-14-4-6-15(7-5-14)19(26)24-28)20(27)22-17-9-8-16-12-21-23-18(16)11-17/h4-9,11-12,28H,2-3,10,13H2,1H3,(H,21,23)(H,22,27)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.54	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM110036 (US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50261816 (CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00567 BindingDB Entry DOI: 10.7270/Q2JH3QW7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50439674 (RICOLINOSTAT | US10858323, Compound 2 | US11207431...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337661 (US10227295, Compound TSA | US11207431, TSA | US975...) Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(14-11-7-3-1-4-8-11)9-5-2-6-10-13(17)15-18/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513919 (CHEMBL4457162) Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cccnc23)cc1 Show InChI InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.02	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5.02	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5.02	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5.02	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5.02	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398723 (CHEMBL2179615 | US10227295, Compound 5d | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(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	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398723 (CHEMBL2179615 | US10227295, Compound 5d | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(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	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398723 (CHEMBL2179615 | US10227295, Compound 5d | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(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	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398723 (CHEMBL2179615 | US10227295, Compound 5d | US940985...) Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(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	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair

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