BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 602 hits with Last Name = 'oyelere' and Initial = 'a'   
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
Androgen receptor


(Homo sapiens (Human))		BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
DrugBank
PDB
Article
PubMed
 3.20n/a 4.70n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM104030
PNG
(Aryl Nilutamide HDACi analog 14e)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H32F3N7O4/c1-29(2)27(42)40(23-14-13-22(17-34)24(16-23)30(31,32)33)28(43)39(29)18-20-9-11-21(12-10-20)25-19-38(37-35-25)15-7-5-3-4-6-8-26(41)36-44/h9-14,16,19,44H,3-8,15,18H2,1-2H3,(H,36,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 440n/a 650n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104029
PNG
(Aryl Nilutamide HDACi analog 14d)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N7O4/c1-28(2)26(41)39(22-13-12-21(16-33)23(15-22)29(30,31)32)27(42)38(28)17-19-8-10-20(11-9-19)24-18-37(36-34-24)14-6-4-3-5-7-25(40)35-43/h8-13,15,18,43H,3-7,14,17H2,1-2H3,(H,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 460n/a 690n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104027
PNG
(Aryl Nilutamide HDACi analog 14b)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F3N7O4/c1-26(2)24(39)37(20-11-10-19(14-31)21(13-20)27(28,29)30)25(40)36(26)15-17-6-8-18(9-7-17)22-16-35(34-32-22)12-4-3-5-23(38)33-41/h6-11,13,16,41H,3-5,12,15H2,1-2H3,(H,33,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 670n/a 1.00E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104026
PNG
(Aryl Nilutamide HDACi analog 14a)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O4/c1-25(2)23(38)36(19-10-9-18(13-30)20(12-19)26(27,28)29)24(39)35(25)14-16-5-7-17(8-6-16)21-15-34(33-31-21)11-3-4-22(37)32-40/h5-10,12,15,40H,3-4,11,14H2,1-2H3,(H,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 720n/a 1.08E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104028
PNG
(Aryl Nilutamide HDACi analog 14c)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F3N7O4/c1-27(2)25(40)38(21-12-11-20(15-32)22(14-21)28(29,30)31)26(41)37(27)16-18-7-9-19(10-8-18)23-17-36(35-33-23)13-5-3-4-6-24(39)34-42/h7-12,14,17,42H,3-6,13,16H2,1-2H3,(H,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 800n/a 1.20E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104037
PNG
(Alkyl Nilutamide HDACi analog 15f)
Show SMILES CC1(C)N(CCCCc2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H36F3N7O4/c1-27(2)25(40)38(22-14-13-20(18-32)23(17-22)28(29,30)31)26(41)37(27)16-10-8-11-21-19-36(35-33-21)15-9-6-4-3-5-7-12-24(39)34-42/h13-14,17,19,42H,3-12,15-16H2,1-2H3,(H,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 960n/a 1.43E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104031
PNG
(Aryl Nilutamide HDACi analog 14f)
Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H34F3N7O4/c1-30(2)28(43)41(24-15-14-23(18-35)25(17-24)31(32,33)34)29(44)40(30)19-21-10-12-22(13-11-21)26-20-39(38-36-26)16-8-6-4-3-5-7-9-27(42)37-45/h10-15,17,20,45H,3-9,16,19H2,1-2H3,(H,37,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.06E+3n/a 1.59E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50135908
PNG
(4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-tri...)
Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O2/c1-12(2)10(20)19(11(21)18-12)8-4-3-7(6-17)9(5-8)13(14,15)16/h3-5H,1-2H3,(H,18,21)
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
 1.28E+3n/a 1.91E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Similars
DrugBank
Article
PubMed
 1.35E+3n/a 2.03E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104036
PNG
(Alkyl Nilutamide HDACi analog 15e)
Show SMILES CC1(C)N(CCCCc2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N7O4/c1-26(2)24(39)37(21-13-12-19(17-31)22(16-21)27(28,29)30)25(40)36(26)15-9-7-10-20-18-35(34-32-20)14-8-5-3-4-6-11-23(38)33-41/h12-13,16,18,41H,3-11,14-15H2,1-2H3,(H,33,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.37E+3n/a 3.55E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
 2.46E+3n/a 3.69E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM104035
PNG
(Alkyl Nilutamide HDACi analog 15d)
Show SMILES CC1(C)N(CCCCc2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F3N7O4/c1-25(2)23(38)36(20-12-11-18(16-30)21(15-20)26(27,28)29)24(39)35(25)14-8-6-9-19-17-34(33-31-19)13-7-4-3-5-10-22(37)32-40/h11-12,15,17,40H,3-10,13-14H2,1-2H3,(H,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.60E+3n/a 3.91E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104034
PNG
(Alkyl Nilutamide HDACi analog 15c)
Show SMILES CC1(C)N(CCCCc2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7O4/c1-24(2)22(37)35(19-11-10-17(15-29)20(14-19)25(26,27)28)23(38)34(24)13-7-5-8-18-16-33(32-30-18)12-6-3-4-9-21(36)31-39/h10-11,14,16,39H,3-9,12-13H2,1-2H3,(H,31,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.68E+3n/a 4.02E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104032
PNG
(Alkyl Nilutamide HDACi analog 15a)
Show SMILES CC1(C)N(CCCCc2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N7O4/c1-22(2)20(35)33(17-9-8-15(13-27)18(12-17)23(24,25)26)21(36)32(22)11-4-3-6-16-14-31(30-28-16)10-5-7-19(34)29-37/h8-9,12,14,37H,3-7,10-11H2,1-2H3,(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 3.96E+3n/a 5.93E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM104033
PNG
(Alkyl Nilutamide HDACi analog 15b)
Show SMILES CC1(C)N(CCCCc2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N7O4/c1-23(2)21(36)34(18-10-9-16(14-28)19(13-18)24(25,26)27)22(37)33(23)12-6-3-7-17-15-32(31-29-17)11-5-4-8-20(35)30-38/h9-10,13,15,38H,3-8,11-12H2,1-2H3,(H,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 4.48E+3n/a 6.73E+3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...

ACS Chem Biol 8: 2550-60 (2013)


Article DOI: 10.1021/cb400542w
BindingDB Entry DOI: 10.7270/Q2CR5S01
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478829
PNG
(6-(6-Methoxynaphthalyl)Triazolylhexahydroxamic Aci...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(CCCCCC(=O)NO)nn1
Show InChI InChI=1S/C19H22N4O3/c1-26-17-9-8-14-11-16(7-6-15(14)12-17)18-13-23(22-20-18)10-4-2-3-5-19(24)21-25/h6-9,11-13,25H,2-5,10H2,1H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM27188
PNG
(triazole-linked clarithromycin-based compound, 24d)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C45H73N5O12/c1-11-35-45(8,57)40(55)28(4)37(52)26(2)23-44(7,59-10)41(29(5)38(53)30(6)42(56)61-35)62-43-39(54)34(22-27(3)60-43)49(9)24-31-17-19-32(20-18-31)33-25-50(48-46-33)21-15-13-12-14-16-36(51)47-58/h17-20,25-30,34-35,38-41,43,53-55,57-58H,11-16,21-24H2,1-10H3,(H,47,51)/t26-,27-,28+,29+,30-,34+,35-,38+,39-,40-,41-,43+,44-,45-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.90n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...

J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478811
PNG
(6-(3-Biphenyl)Triazolylhexahydroxamic Acid | CHEMB...)
Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c25-20(22-26)12-5-2-6-13-24-15-19(21-23-24)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,26H,2,5-6,12-13H2,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478823
PNG
(6-(2-Quinolyl)Triazolylhexahydroxamic Acid | CHEMB...)
Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C17H19N5O2/c23-17(20-24)8-2-1-5-11-22-12-16(19-21-22)15-10-9-13-6-3-4-7-14(13)18-15/h3-4,6-7,9-10,12,24H,1-2,5,8,11H2,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478814
PNG
(6-(4-Anisolyl)Triazolylhexahydroxamic Acid | CHEMB...)
Show SMILES COc1ccc(cc1)-c1cn(CCCCCC(=O)NO)nn1
Show InChI InChI=1S/C15H20N4O3/c1-22-13-8-6-12(7-9-13)14-11-19(18-16-14)10-4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478832
PNG
(6-(4-Pyridylphenyl)Triazolylhexahydroxamic Acid | ...)
Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C19H21N5O2/c25-19(22-26)4-2-1-3-13-24-14-18(21-23-24)17-7-5-15(6-8-17)16-9-11-20-12-10-16/h5-12,14,26H,1-4,13H2,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50481553
PNG
(7-(2-Tolyl)Triazolylheptahydroxamamic Acid | CHEMB...)
Show SMILES Cc1ccccc1-c1cn(CCCCCCC(=O)NO)nn1
Show InChI InChI=1S/C16H22N4O2/c1-13-8-5-6-9-14(13)15-12-20(19-17-15)11-7-3-2-4-10-16(21)18-22/h5-6,8-9,12,22H,2-4,7,10-11H2,1H3,(H,18,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay

Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499349
PNG
(CHEMBL4299370)
Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r|
Show InChI InChI=1S/C56H94N6O15/c1-16-43-55(10,68)49(66)35(4)46(64)33(2)28-53(8,71-14)50(77-52-47(65)42(60(11)12)27-34(3)73-52)36(5)48(37(6)51(67)75-43)76-45-29-54(9,72-15)56(69,38(7)74-45)32-61(13)30-39-22-24-40(25-23-39)41-31-62(59-57-41)26-20-18-17-19-21-44(63)58-70/h22-25,31,33-38,42-43,45,47-50,52,65-66,68-70H,16-21,26-30,32H2,1-15H3,(H,58,63)/t33-,34+,35+,36-,37-,38-,42-,43-,45-,47+,48+,49+,50-,52-,53-,54+,55-,56-/m0/s1
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 2.90n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499361
PNG
(CHEMBL4299435)
Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@H]1[C@@H](C)[C@@H](O[C@@]2([H])O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC |r|
Show InChI InChI=1S/C52H85N5O15/c1-14-39-52(10,64)45(61)31(4)42(59)29(2)25-51(9,67-13)47(32(5)44(33(6)48(63)70-39)71-41-26-50(8,66-12)46(62)34(7)69-41)72-49-43(60)38(24-30(3)68-49)56(11)27-35-19-21-36(22-20-35)37-28-57(55-53-37)23-17-15-16-18-40(58)54-65/h19-22,28-34,38-39,41,43-47,49,60-62,64-65H,14-18,23-27H2,1-13H3,(H,54,58)/t29-,30+,31+,32-,33-,34-,38-,39-,41-,43+,44+,45+,46-,47-,49-,50+,51-,52-/m1/s1
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 3.60n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50235296
PNG
(CHEMBL4096623)
Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1
Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29)
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/an/a 3.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)

Bioorg Med Chem Lett 27: 744-749 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499346
PNG
(CHEMBL3736314)
Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1cccc(c1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4|
Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-20-22-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(23-29(3)63-45)53(9)26-33-17-16-18-34(24-33)35-27-54(52-50-35)21-15-13-12-14-19-38(56)51-61/h16-18,24,27-32,36-37,41-43,45,58,61H,11-15,19-23,25-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1
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 3.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM27187
PNG
(triazole-linked clarithromycin-based compound, 24c)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C53H87N5O15/c1-14-40-53(10,65)46(62)32(4)43(60)30(2)26-52(9,68-13)48(33(5)45(34(6)49(64)71-40)72-42-27-51(8,67-12)47(63)35(7)70-42)73-50-44(61)39(25-31(3)69-50)57(11)28-36-20-22-37(23-21-36)38-29-58(56-54-38)24-18-16-15-17-19-41(59)55-66/h20-23,29-35,39-40,42,44-48,50,61-63,65-66H,14-19,24-28H2,1-13H3,(H,55,59)/t30-,31-,32+,33+,34-,35+,39+,40-,42+,44-,45+,46-,47+,48-,50+,51-,52-,53-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 4.10n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...

J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478819
PNG
(6-(4-Anilyl)Triazolylhexahydroxamic Acid | CHEMBL4...)
Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCC(=O)NO)nn1
Show InChI InChI=1S/C16H23N5O2/c1-20(2)14-9-7-13(8-10-14)15-12-21(19-17-15)11-5-3-4-6-16(22)18-23/h7-10,12,23H,3-6,11H2,1-2H3,(H,18,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499327
PNG
(CHEMBL4299447)
Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C[C@@H](C)C[C@@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@H]1C |r|
Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)58(29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67)28-31(2)26-51(8,65)48(73-50-44(61)40(57(11)12)25-32(3)69-50)33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35+,36-,40+,41-,43-,44-,45+,46-,47-,48-,50+,51+,52+,53-/m0/s1
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 4.70n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase


(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase


(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay

Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50209796
PNG
(CHEMBL3885011)
Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12
Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)
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/an/a 5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis

Bioorg Med Chem 25: 1202-1218 (2017)


Article DOI: 10.1016/j.bmc.2016.12.032
BindingDB Entry DOI: 10.7270/Q2F76FJW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478810
PNG
(7-(3-Biphenyl)Triazolylheptahydroxamic Acid | CHEM...)
Show SMILES ONC(=O)CCCCCCn1cc(nn1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c26-21(23-27)13-6-1-2-7-14-25-16-20(22-24-25)19-12-8-11-18(15-19)17-9-4-3-5-10-17/h3-5,8-12,15-16,27H,1-2,6-7,13-14H2,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499350
PNG
(CHEMBL4299426)
Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@H](C)O1)O[C@H]1[C@@H](C)[C@@H](O[C@@]2([H])O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC |r|
Show InChI InChI=1S/C55H92N6O15/c1-16-42-54(10,67)48(65)34(4)45(63)32(2)27-52(8,70-14)49(76-51-46(64)41(59(11)12)26-33(3)72-51)35(5)47(36(6)50(66)74-42)75-44-28-53(9,71-15)55(68,37(7)73-44)31-60(13)29-38-21-23-39(24-22-38)40-30-61(58-56-40)25-19-17-18-20-43(62)57-69/h21-24,30,32-37,41-42,44,46-49,51,64-65,67-69H,16-20,25-29,31H2,1-15H3,(H,57,62)/t32-,33+,34+,35-,36-,37-,41-,42-,44-,46+,47+,48+,49-,51-,52-,53+,54-,55-/m1/s1
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 5.90n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499330
PNG
(CHEMBL4299491)
Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r|
Show InChI InChI=1S/C53H87N5O15/c1-14-40-53(10,65)46(62)32(4)43(60)30(2)26-52(9,68-13)48(33(5)45(34(6)49(64)71-40)72-42-27-51(8,67-12)47(63)35(7)70-42)73-50-44(61)39(25-31(3)69-50)57(11)28-36-20-22-37(23-21-36)38-29-58(56-54-38)24-18-16-15-17-19-41(59)55-66/h20-23,29-35,39-40,42,44-48,50,61-63,65-66H,14-19,24-28H2,1-13H3,(H,55,59)/t30-,31+,32+,33-,34-,35-,39-,40-,42-,44+,45+,46+,47-,48-,50-,51+,52-,53-/m0/s1
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 6.70n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499357
PNG
(CHEMBL3736342)
Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4|
Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1
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



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499331
PNG
(CHEMBL4299417)
Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H]1C |r|
Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33-,34-,35-,36-,40+,41+,43-,44-,45+,46-,47-,48-,50+,51-,52+,53-/m0/s1
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 7.30n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50492417
PNG
(CHEMBL2401843)
Show SMILES [H][C@@]12CC[C@@](O)(c3cn(CCCC(=O)NO)nn3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C24H32N4O4/c1-23-10-8-18-17-7-5-16(29)13-15(17)4-6-19(18)20(23)9-11-24(23,31)21-14-28(27-25-21)12-2-3-22(30)26-32/h5,7,13-14,18-20,29,31-32H,2-4,6,8-12H2,1H3,(H,26,30)/t18-,19-,20+,23+,24-/m1/s1
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 8n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assay

J Med Chem 56: 5782-96 (2013)


Article DOI: 10.1021/jm400467w
BindingDB Entry DOI: 10.7270/Q2XP77W3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50382632
PNG
(CHEMBL2023529)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|
Show InChI InChI=1S/C43H49N5O12/c1-22-38(51)28(44-20-24-12-14-25(15-13-24)29-21-48(47-45-29)16-7-5-4-6-11-32(50)46-57)17-33(59-22)60-31-19-43(56,23(2)49)18-27-35(31)42(55)37-36(40(27)53)39(52)26-9-8-10-30(58-3)34(26)41(37)54/h8-10,12-15,21-22,28,31,33,38,44,51,53,55-57H,4-7,11,16-20H2,1-3H3,(H,46,50)/t22-,28-,31-,33-,38+,43-/m0/s1
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/an/a 8n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis

J Med Chem 55: 1465-77 (2012)


Article DOI: 10.1021/jm200799p
BindingDB Entry DOI: 10.7270/Q24F1RRP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499320
PNG
(CHEMBL3735736)
Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1ccc(cc1)-c1cn(CCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4|
Show InChI InChI=1S/C47H71N7O11/c1-11-36-47(8)41-29(4)38(48-20-22-54(41)45(59)65-47)27(2)24-46(7,61-10)42(30(5)39(56)31(6)43(58)63-36)64-44-40(57)35(23-28(3)62-44)52(9)25-32-16-18-33(19-17-32)34-26-53(51-49-34)21-14-12-13-15-37(55)50-60/h16-19,26-31,35-36,40-42,44,57,60H,11-15,20-25H2,1-10H3,(H,50,55)/t27-,28-,29+,30+,31-,35+,36-,40-,41-,42-,44+,46+,47-/m1/s1
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 8.90n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50478820
PNG
(7-(Phenyl)Triazolylheptahydroxamic Acid | CHEMBL47...)
Show SMILES ONC(=O)CCCCCCn1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O2/c20-15(17-21)10-6-1-2-7-11-19-12-14(16-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells by flour de lys assay

Bioorg Med Chem 16: 4839-53 (2008)


Article DOI: 10.1016/j.bmc.2008.03.050
BindingDB Entry DOI: 10.7270/Q2862K6N
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499345
PNG
(CHEMBL4299449)
Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)N(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)C[C@H](C)C[C@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H]1C |r|
Show InChI InChI=1S/C52H88N6O14/c1-14-40-52(10,65)45(61)34(6)57(28-36-19-21-37(22-20-36)38-29-58(55-53-38)23-17-15-16-18-41(59)54-66)27-30(2)25-50(8,64)47(72-49-43(60)39(56(11)12)24-31(3)68-49)32(4)44(33(5)48(63)70-40)71-42-26-51(9,67-13)46(62)35(7)69-42/h19-22,29-35,39-40,42-47,49,60-62,64-66H,14-18,23-28H2,1-13H3,(H,54,59)/t30-,31-,32+,33-,34+,35-,39+,40-,42-,43-,44+,45-,46-,47-,49+,50+,51+,52-/m1/s1
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



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...

Bioorg Med Chem 23: 7543-64 (2015)


Article DOI: 10.1016/j.bmc.2015.10.045
BindingDB Entry DOI: 10.7270/Q2RX9G2V
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50209789
PNG
(CHEMBL3885174)
Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12
Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)
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/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis

Bioorg Med Chem 25: 1202-1218 (2017)


Article DOI: 10.1016/j.bmc.2016.12.032
BindingDB Entry DOI: 10.7270/Q2F76FJW
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))		BDBM50324111
PNG
(CHEMBL1214760)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:54|
Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47-,48-/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1

J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50080005
PNG
(CHEMBL3415965)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N8O4/c24-23-29-20-19(22(34)30-23)28-17(14-27-20)13-26-16-10-8-15(9-11-16)21(33)25-12-6-4-2-1-3-5-7-18(32)31-35/h8-11,14,26,35H,1-7,12-13H2,(H,25,33)(H,31,32)(H3,24,27,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry

Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM27180
PNG
(7-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C45H76N6O11/c1-11-36-45(8,58)40(55)31(6)49(9)24-27(2)23-44(7,57)41(29(4)38(53)30(5)42(56)61-36)62-43-39(54)35(22-28(3)60-43)50(10)25-32-17-19-33(20-18-32)34-26-51(48-46-34)21-15-13-12-14-16-37(52)47-59/h17-20,26-31,35-36,38-41,43,53-55,57-59H,11-16,21-25H2,1-10H3,(H,47,52)/t27-,28-,29+,30-,31-,35+,36-,38+,39-,40-,41-,43+,44-,45-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 10.6n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...

J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
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 11n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)

Bioorg Med Chem Lett 27: 744-749 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50382631
PNG
(CHEMBL2023530)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|
Show InChI InChI=1S/C44H51N5O12/c1-23-39(52)29(45-21-25-13-15-26(16-14-25)30-22-49(48-46-30)17-8-6-4-5-7-12-33(51)47-58)18-34(60-23)61-32-20-44(57,24(2)50)19-28-36(32)43(56)38-37(41(28)54)40(53)27-10-9-11-31(59-3)35(27)42(38)55/h9-11,13-16,22-23,29,32,34,39,45,52,54,56-58H,4-8,12,17-21H2,1-3H3,(H,47,51)/t23-,29-,32-,34-,39+,44-/m0/s1
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/an/a 11n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis

J Med Chem 55: 1465-77 (2012)


Article DOI: 10.1021/jm200799p
BindingDB Entry DOI: 10.7270/Q24F1RRP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 602 total )  |  Next  |  Last  >>
Jump to: