BindingDB logo
myBDB logout

PubMed code 19854643

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50299814
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C69H115N25O14/c1-44(2)62(68(107)81-40-60(100)78-38-56(74)96)86-66(105)51(21-8-12-33-73)84-65(104)52(22-15-34-77-69(75)76)85-64(103)50(20-7-11-32-72)83-63(102)46(17-5-9-30-70)37-55(95)49(19-6-10-31-71)82-67(106)54-23-16-36-93(54)61(101)41-80-59(99)39-79-57(97)25-14-18-47-42-94(91-87-47)48-28-26-45(27-29-48)53-43-92(90-88-53)35-13-3-4-24-58(98)89-108/h26-29,42-44,46,49-52,54,62,108H,3-25,30-41,70-73H2,1-2H3,(H2,74,96)(H,78,100)(H,79,97)(H,80,99)(H,81,107)(H,82,106)(H,83,102)(H,84,104)(H,85,103)(H,86,105)(H,89,98)(H4,75,76,77)/t46-,49+,50+,51+,52+,54+,62+/m1/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 575n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50299816
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H119N25O14/c1-46(2)64(70(109)83-42-62(102)80-40-58(76)98)88-68(107)53(23-10-14-35-75)86-67(106)54(24-17-36-79-71(77)78)87-66(105)52(22-9-13-34-74)85-65(104)48(19-7-11-32-72)39-57(97)51(21-8-12-33-73)84-69(108)56-25-18-38-95(56)63(103)43-82-61(101)41-81-59(99)27-16-20-49-44-96(93-89-49)50-30-28-47(29-31-50)55-45-94(92-90-55)37-15-5-3-4-6-26-60(100)91-110/h28-31,44-46,48,51-54,56,64,110H,3-27,32-43,72-75H2,1-2H3,(H2,76,98)(H,80,102)(H,81,99)(H,82,101)(H,83,109)(H,84,108)(H,85,104)(H,86,106)(H,87,105)(H,88,107)(H,91,100)(H4,77,78,79)/t48-,51+,52+,53+,54+,56+,64+/m1/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 714n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50299815
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H117N25O14/c1-45(2)63(69(108)82-41-61(101)79-39-57(75)97)87-67(106)52(22-9-13-34-74)85-66(105)53(23-16-35-78-70(76)77)86-65(104)51(21-8-12-33-73)84-64(103)47(18-6-10-31-71)38-56(96)50(20-7-11-32-72)83-68(107)55-24-17-37-94(55)62(102)42-81-60(100)40-80-58(98)26-15-19-48-43-95(92-88-48)49-29-27-46(28-30-49)54-44-93(91-89-54)36-14-4-3-5-25-59(99)90-109/h27-30,43-45,47,50-53,55,63,109H,3-26,31-42,71-74H2,1-2H3,(H2,75,97)(H,79,101)(H,80,98)(H,81,100)(H,82,108)(H,83,107)(H,84,103)(H,85,105)(H,86,104)(H,87,106)(H,90,99)(H4,76,77,78)/t47-,50+,51+,52+,53+,55+,63+/m1/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 716n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
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 800n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50299816
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H119N25O14/c1-46(2)64(70(109)83-42-62(102)80-40-58(76)98)88-68(107)53(23-10-14-35-75)86-67(106)54(24-17-36-79-71(77)78)87-66(105)52(22-9-13-34-74)85-65(104)48(19-7-11-32-72)39-57(97)51(21-8-12-33-73)84-69(108)56-25-18-38-95(56)63(103)43-82-61(101)41-81-59(99)27-16-20-49-44-96(93-89-49)50-30-28-47(29-31-50)55-45-94(92-90-55)37-15-5-3-4-6-26-60(100)91-110/h28-31,44-46,48,51-54,56,64,110H,3-27,32-43,72-75H2,1-2H3,(H2,76,98)(H,80,102)(H,81,99)(H,82,101)(H,83,109)(H,84,108)(H,85,104)(H,86,106)(H,87,105)(H,88,107)(H,91,100)(H4,77,78,79)/t48-,51+,52+,53+,54+,56+,64+/m1/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 1.24E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50299815
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H117N25O14/c1-45(2)63(69(108)82-41-61(101)79-39-57(75)97)87-67(106)52(22-9-13-34-74)85-66(105)53(23-16-35-78-70(76)77)86-65(104)51(21-8-12-33-73)84-64(103)47(18-6-10-31-71)38-56(96)50(20-7-11-32-72)83-68(107)55-24-17-37-94(55)62(102)42-81-60(100)40-80-58(98)26-15-19-48-43-95(92-88-48)49-29-27-46(28-30-49)54-44-93(91-89-54)36-14-4-3-5-25-59(99)90-109/h27-30,43-45,47,50-53,55,63,109H,3-26,31-42,71-74H2,1-2H3,(H2,75,97)(H,79,101)(H,80,98)(H,81,100)(H,82,108)(H,83,107)(H,84,103)(H,85,105)(H,86,104)(H,87,106)(H,90,99)(H4,76,77,78)/t47-,50+,51+,52+,53+,55+,63+/m1/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 1.53E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50299814
PNG
((S)-N-((8S,11S,14S,17S,20R,23S)-1,27-diamino-11,17...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cn(nn1)-c1ccc(cc1)-c1cn(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])nn1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C69H115N25O14/c1-44(2)62(68(107)81-40-60(100)78-38-56(74)96)86-66(105)51(21-8-12-33-73)84-65(104)52(22-15-34-77-69(75)76)85-64(103)50(20-7-11-32-72)83-63(102)46(17-5-9-30-70)37-55(95)49(19-6-10-31-71)82-67(106)54-23-16-36-93(54)61(101)41-80-59(99)39-79-57(97)25-14-18-47-42-94(91-87-47)48-28-26-45(27-29-48)53-43-92(90-88-53)35-13-3-4-24-58(98)89-108/h26-29,42-44,46,49-52,54,62,108H,3-25,30-41,70-73H2,1-2H3,(H2,74,96)(H,78,100)(H,79,97)(H,80,99)(H,81,107)(H,82,106)(H,83,102)(H,84,104)(H,85,103)(H,86,105)(H,89,98)(H4,75,76,77)/t46-,49+,50+,51+,52+,54+,62+/m1/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 3.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 19: 6588-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.028
BindingDB Entry DOI: 10.7270/Q2QV3NFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%