BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'noonepalle' and Initial = 's'   
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))
BDBM50247556
PNG
(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/an/a 0.290n/an/an/an/an/an/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
PNG
(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/an/a 0.330n/an/an/an/an/an/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
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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 0.400n/an/an/an/an/an/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
PNG
(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/an/a 0.5n/an/an/an/an/an/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
PNG
(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/an/a 0.810n/an/an/an/an/an/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))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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 0.900n/an/an/an/an/an/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))
BDBM50398716
PNG
(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/an/a 1.60n/an/an/an/an/an/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))
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 2n/an/an/an/an/an/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
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50513915
PNG
(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/an/a 2n/an/an/an/an/an/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))
BDBM417049
PNG
(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/an/a 2.30n/an/an/an/an/an/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))
BDBM110036
PNG
(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/an/a 2.60n/an/an/an/an/an/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))
BDBM249366
PNG
(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/an/a 3n/an/an/an/an/an/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
PNG
(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/an/a 3.20n/an/an/an/an/an/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
PNG
(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/an/a 4n/an/an/an/an/an/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
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 4.40n/an/an/an/an/an/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
PNG
(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/an/a 4.70n/an/an/an/an/an/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))
BDBM50398716
PNG
(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/an/a 5n/an/an/an/an/an/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
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



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))
BDBM50513920
PNG
(CHEMBL4554511)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCc1cc(no1)C(=O)NO
Show InChI InChI=1S/C21H23N5O7/c1-21(2,3)31-20(29)23-13-6-4-12(5-7-13)17-11-16(26-33-17)18(27)22-9-8-14-10-15(25-32-14)19(28)24-30/h4-7,10-11,30H,8-9H2,1-3H3,(H,22,27)(H,23,29)(H,24,28)
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 6n/an/an/an/an/an/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))
BDBM50252392
PNG
(CHEMBL4069287)
Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(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/an/a 8.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human HDAC6 expressed in baculovirus infected sf9 insect cells using Fluor de Lys as substrate preincubated for...


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))
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
Article
PubMed
n/an/a 9n/an/an/an/an/an/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))
BDBM50513925
PNG
(CHEMBL4556111)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc3ccccc3c2)on1
Show InChI InChI=1S/C17H15N3O4/c21-16(13-6-5-11-3-1-2-4-12(11)9-13)18-8-7-14-10-15(20-24-14)17(22)19-23/h1-6,9-10,23H,7-8H2,(H,18,21)(H,19,22)
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 10n/an/an/an/an/an/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))
BDBM50513916
PNG
(CHEMBL4469488)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
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 12n/an/an/an/an/an/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))
BDBM50513916
PNG
(CHEMBL4469488)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
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 12n/an/an/an/an/an/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))
BDBM50261816
PNG
(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/an/a 14n/an/an/an/an/an/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))
BDBM50513918
PNG
(CHEMBL4462652)
Show SMILES ONC(=O)c1ccc(CNCc2csc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O2S/c20-17(19-21)13-7-5-12(6-8-13)9-18-10-14-11-22-16-4-2-1-3-15(14)16/h1-8,11,18,21H,9-10H2,(H,19,20)
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic substrate incubated for 30 mins by fluorescence assay


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))
BDBM50513926
PNG
(CHEMBL4483795)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2cccc(c2)-c2ccccc2)on1
Show InChI InChI=1S/C19H17N3O4/c23-18(20-10-9-16-12-17(22-26-16)19(24)21-25)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-8,11-12,25H,9-10H2,(H,20,23)(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 24n/an/an/an/an/an/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))
BDBM50513915
PNG
(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/an/a 28n/an/an/an/an/an/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))
BDBM50252388
PNG
(CHEMBL4079541)
Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
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 31n/an/an/an/an/an/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))
BDBM50513917
PNG
(CHEMBL4520424)
Show SMILES ONC(=O)c1cc(CCC(=O)Nc2nc(cs2)-c2ccccc2)on1
Show InChI InChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21)
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



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))
BDBM50560907
PNG
(CHEMBL4783802)
Show SMILES OCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
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


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))
BDBM50513915
PNG
(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/an/a 34n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 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 1


(Homo sapiens (Human))
BDBM110036
PNG
(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/an/a 35n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease ...


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))
BDBM50439674
PNG
(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/an/a 58n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease ...


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))
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 Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate by fluorescence assay


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))
BDBM50513916
PNG
(CHEMBL4469488)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
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 75n/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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))
BDBM417049
PNG
(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/an/a 100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGl...


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))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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 117n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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))
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 122n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGlo Su...


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
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50279258
PNG
(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/an/a 148n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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))
BDBM50398716
PNG
(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/an/a 151n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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 2


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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 176n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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))
BDBM50513921
PNG
(CHEMBL4584312)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccccc2)on1
Show InChI InChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)14-7-6-10-8-11(16-20-10)13(18)15-19/h1-5,8,19H,6-7H2,(H,14,17)(H,15,18)
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 190n/an/an/an/an/an/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))
BDBM50513928
PNG
(CHEMBL4470946)
Show SMILES ONC(=O)c1cc(CCCOc2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H12Cl2N2O4/c14-10-4-3-8(6-11(10)15)20-5-1-2-9-7-12(17-21-9)13(18)16-19/h3-4,6-7,19H,1-2,5H2,(H,16,18)
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 200n/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50513915
PNG
(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/an/a 200n/an/an/an/an/an/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))
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 241n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGl...


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 2


(Homo sapiens (Human))
BDBM50279258
PNG
(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/an/a 268n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


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))
BDBM50560906
PNG
(CHEMBL4761969)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc1ccccc1 |r|
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 270n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50398716
PNG
(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/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 135 total )  |  Next  |  Last  >>
Jump to: