BindingDB logo
myBDB logout

PubMed code 29456804

Compile data set for download or QSAR
Found 5 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 8


(Homo sapiens (Human))
BDBM50465051
PNG
(CHEMBL4285950)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CONC(=O)\C=C\c2cccc(c2)S(=O)(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H31BN2O6S/c1-27(2)28(3,4)37-29(36-27)23-16-13-22(14-17-23)20-35-30-26(32)18-15-21-9-8-12-25(19-21)38(33,34)31-24-10-6-5-7-11-24/h5-19,31H,20H2,1-4H3,(H,30,32)/b18-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.41E+5n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHK(Ac)K(Ac)AMC as substrate


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human cell lysates using fluoro-substrate peptide/fluoro-deacetylated peptide as substrate incubated for 20 mins measured at 1 ...


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair
Histone deacetylase


(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human cell lysates using fluoro-substrate peptide/fluoro-deacetylated peptide as substrate incubated for 20 mins measured at 1 ...


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50465051
PNG
(CHEMBL4285950)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CONC(=O)\C=C\c2cccc(c2)S(=O)(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H31BN2O6S/c1-27(2)28(3,4)37-29(36-27)23-16-13-22(14-17-23)20-35-30-26(32)18-15-21-9-8-12-25(19-21)38(33,34)31-24-10-6-5-7-11-24/h5-19,31H,20H2,1-4H3,(H,30,32)/b18-15+
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/an/an/a 350n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human cell lysates using fluoro-substrate peptide/fluoro-deacetylated peptide as substrate incubated for 20 mins measured at 1 ...


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50465051
PNG
(CHEMBL4285950)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CONC(=O)\C=C\c2cccc(c2)S(=O)(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H31BN2O6S/c1-27(2)28(3,4)37-29(36-27)23-16-13-22(14-17-23)20-35-30-26(32)18-15-21-9-8-12-25(19-21)38(33,34)31-24-10-6-5-7-11-24/h5-19,31H,20H2,1-4H3,(H,30,32)/b18-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.02E+4n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac)AMC as substrate


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%