BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'porter' and Initial = 'nj'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50369342
PNG
(CHEMBL4162282)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHKKAc fluorogenic peptide substrate

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50513919
PNG
(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/an/a 5n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50005711
PNG
(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/an/a 5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517576
PNG
(CHEMBL4468273)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccncc23)cc1
Show InChI InChI=1S/C19H15N3O2S/c23-19(21-24)14-7-5-13(6-8-14)12-22-15-3-1-2-4-17(15)25-18-9-10-20-11-16(18)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/an/a 7n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517583
PNG
(CHEMBL4556275)
Show SMILES ONC(=O)c1ccc(CN2c3ccncc3Sc3ccncc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-18(21-24)13-3-1-12(2-4-13)11-22-14-5-7-20-10-17(14)25-16-6-8-19-9-15(16)22/h1-10,24H,11H2,(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/an/a 9n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517567
PNG
(CHEMBL4545246)
Show SMILES COc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-11-20-18(12-16)23(17-4-2-3-5-19(17)27-20)13-14-6-8-15(9-7-14)21(24)22-25/h2-12,25H,13H2,1H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50369343
PNG
(CHEMBL4173361)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(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
PDB
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517585
PNG
(CHEMBL4443794)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccnnc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-18(21-24)13-7-5-12(6-8-13)11-22-14-3-1-2-4-15(14)25-16-9-10-19-20-17(16)22/h1-10,24H,11H2,(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/an/a 11n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517570
PNG
(CHEMBL4530950)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517572
PNG
(CHEMBL4439108)
Show SMILES ONC(=O)c1ccc(CN2c3ccncc3Sc3ncccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-17(21-24)13-5-3-12(4-6-13)11-22-14-7-9-19-10-16(14)25-18-15(22)2-1-8-20-18/h1-10,24H,11H2,(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/an/a 12n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517574
PNG
(CHEMBL4444811)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O4S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)27(25,26)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(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/an/a 13n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517578
PNG
(CHEMBL4546254)
Show SMILES ONC(=O)c1ccc(CN2c3cccnc3Sc3cccnc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-17(21-24)13-7-5-12(6-8-13)11-22-14-3-1-10-20-18(14)25-15-4-2-9-19-16(15)22/h1-10,24H,11H2,(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/an/a 14n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(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/an/a 15n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHKKAc fluorogenic peptide substrate

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(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/an/a 16n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal FLAG-tagged HDAC6 (1 to 1215 residues) expressed in HEK293 cells preincubated for 15 mins followed by acet...

ACS Med Chem Lett 9: 1301-1305 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00487
BindingDB Entry DOI: 10.7270/Q2FR00WW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517569
PNG
(CHEMBL4450965)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cccc(Cl)c23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-4-3-7-18-19(15)23(16-5-1-2-6-17(16)26-18)12-13-8-10-14(11-9-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517577
PNG
(CHEMBL4442266)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3nccnc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-17(21-24)13-7-5-12(6-8-13)11-22-14-3-1-2-4-15(14)25-18-16(22)19-9-10-20-18/h1-10,24H,11H2,(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/an/a 17n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50506233
PNG
(CHEMBL4475378)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1
Show InChI InChI=1S/C15H12F3N3O3/c16-15(17,18)12-11(2-1-7-19-12)14(23)20-8-9-3-5-10(6-4-9)13(22)21-24/h1-7,24H,8H2,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517581
PNG
(CHEMBL4581606)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cc(Cl)nnc23)cc1
Show InChI InChI=1S/C18H13ClN4O2S/c19-16-9-15-17(21-20-16)23(13-3-1-2-4-14(13)26-15)10-11-5-7-12(8-6-11)18(24)22-25/h1-9,25H,10H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517566
PNG
(CHEMBL4436946)
Show SMILES ONC(=O)c1ccc(CN2N=CC=C3Sc4ccccc4N=C23)cc1 |c:10,t:12,22|
Show InChI InChI=1S/C18H14N4O2S/c23-18(21-24)13-7-5-12(6-8-13)11-22-17-16(9-10-19-22)25-15-4-2-1-3-14(15)20-17/h1-10,24H,11H2,(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/an/a 19n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517568
PNG
(CHEMBL4438566)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(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/an/a 22n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517565
PNG
(CHEMBL4472834)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(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/an/a 30n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517571
PNG
(CHEMBL4551531)
Show SMILES CCSc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C22H20N2O2S2/c1-2-27-17-11-12-21-19(13-17)24(18-5-3-4-6-20(18)28-21)14-15-7-9-16(10-8-15)22(25)23-26/h3-13,26H,2,14H2,1H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517573
PNG
(CHEMBL4436806)
Show SMILES CN1CCC2=C(C1)N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S2 |c:4|
Show InChI InChI=1S/C20H21N3O2S/c1-22-11-10-19-17(13-22)23(16-4-2-3-5-18(16)26-19)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 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517579
PNG
(CHEMBL4442157)
Show SMILES Cc1nc2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3Sc2s1
Show InChI InChI=1S/C18H15N3O2S2/c1-11-19-16-18(24-11)25-15-5-3-2-4-14(15)21(16)10-12-6-8-13(9-7-12)17(22)20-23/h2-9,23H,10H2,1H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50233437
PNG
(CHEMBL4065147)
Show SMILES SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal FLAG-tagged HDAC6 (1 to 1215 residues) expressed in HEK293 cells preincubated for 15 mins followed by acet...

ACS Med Chem Lett 9: 1301-1305 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00487
BindingDB Entry DOI: 10.7270/Q2FR00WW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50369345
PNG
(CHEMBL4165724 | US11207431, Example 1 | US11890356...)
Show SMILES CN(Cc1ccc(cc1F)C(=O)NO)CC12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
Show InChI InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50506236
PNG
(4sc-201 | BYK-408740 | BYK408740 | RAS-2410 | RAS2...)
Show SMILES CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
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/an/a 72n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal FLAG-tagged HDAC6 (unknown origin) using Ac-NH-GGK(Ac)-AMC as substrate measured after 180 mins by fluorescence ...

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517575
PNG
(CHEMBL4473451)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(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/an/a 77n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50369342
PNG
(CHEMBL4162282)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(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/an/a 104n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517584
PNG
(CHEMBL4447453)
Show SMILES ONC(=O)c1ccc(CN2N=C(Cl)C=C3Sc4ccccc4N=C23)cc1 |t:10,13,23|
Show InChI InChI=1S/C18H13ClN4O2S/c19-16-9-15-17(20-13-3-1-2-4-14(13)26-15)23(21-16)10-11-5-7-12(8-6-11)18(24)22-25/h1-9,25H,10H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19149
PNG
(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/an/a 117n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517582
PNG
(CHEMBL4534310)
Show SMILES ONC(=O)c1ccc(CCN2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C21H18N2O2S/c24-21(22-25)16-11-9-15(10-12-16)13-14-23-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)23/h1-12,25H,13-14H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50506237
PNG
(CHEMBL4571732)
Show SMILES [H][C@]12C[C@]([H])([C@H](CNCc3ccc(cc3)C(=O)NO)CC1)C2(C)C |r|
Show InChI InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 149n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 CD2 domain (unknown origin)

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50369343
PNG
(CHEMBL4173361)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(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
PDB
UniChem

Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay

J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50506234
PNG
(CHEMBL4459294)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 314n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50506235
PNG
(CHEMBL4532891)
Show SMILES ONC(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N4O6/c25-17(21-10-14-6-8-16(9-7-14)19(27)24-29)11-22-18(26)12-23-20(28)30-13-15-4-2-1-3-5-15/h1-9,29H,10-13H2,(H,21,25)(H,22,26)(H,23,28)(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 335n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 CD2 domain (unknown origin)

J Med Chem 63: 295-308 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01540
BindingDB Entry DOI: 10.7270/Q2BG2S8D
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19149
PNG
(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/an/a 400n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using fluorogenic Arg-His-Lys(Ac)-Lys(Ac) as substrate incubated for...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19149
PNG
(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/an/a 669n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal FLAG-tagged HDAC8 (1 to 377 residues) expressed in HEK293 cells preincubated for 15 mins followed by Boc-[...

ACS Med Chem Lett 9: 1301-1305 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00487
BindingDB Entry DOI: 10.7270/Q2FR00WW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50380399
PNG
(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/an/a 695n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using fluorogenic Arg-His-Lys(Ac)-Lys(Ac) as substrate incubated for...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(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/an/a 854n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using RHKKAc fluorogenic peptide substrate

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50517573
PNG
(CHEMBL4436806)
Show SMILES CN1CCC2=C(C1)N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S2 |c:4|
Show InChI InChI=1S/C20H21N3O2S/c1-22-11-10-19-17(13-22)23(16-4-2-3-5-18(16)26-19)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 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHKKAc fluorogenic peptide substrate

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50517568
PNG
(CHEMBL4438566)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(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/an/a 1.48E+3n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using fluorogenic Arg-His-Lys(Ac)-Lys(Ac) as substrate incubated for...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>
Jump to: