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SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCC(=O)NO)nn5)cc4cc3Cn1c2=O

InChI Key: InChIKey=CBEWPDGJGLHJCA-NDEPHWFRSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50491821   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50491821
PNG
(CHEMBL2386910)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCC(=O)NO)nn5)cc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C28H28N6O7/c1-2-28(38)21-11-23-25-17(12-34(23)26(36)20(21)15-41-27(28)37)9-16-10-19(6-7-22(16)29-25)40-14-18-13-33(32-30-18)8-4-3-5-24(35)31-39/h6-7,9-11,13,38-39H,2-5,8,12,14-15H2,1H3,(H,31,35)/t28-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3283-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.108
BindingDB Entry DOI: 10.7270/Q2B56NN3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50491821
PNG
(CHEMBL2386910)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCC(=O)NO)nn5)cc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C28H28N6O7/c1-2-28(38)21-11-23-25-17(12-34(23)26(36)20(21)15-41-27(28)37)9-16-10-19(6-7-22(16)29-25)40-14-18-13-33(32-30-18)8-4-3-5-24(35)31-39/h6-7,9-11,13,38-39H,2-5,8,12,14-15H2,1H3,(H,31,35)/t28-/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 260n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3283-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.108
BindingDB Entry DOI: 10.7270/Q2B56NN3
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50491821
PNG
(CHEMBL2386910)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCC(=O)NO)nn5)cc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C28H28N6O7/c1-2-28(38)21-11-23-25-17(12-34(23)26(36)20(21)15-41-27(28)37)9-16-10-19(6-7-22(16)29-25)40-14-18-13-33(32-30-18)8-4-3-5-24(35)31-39/h6-7,9-11,13,38-39H,2-5,8,12,14-15H2,1H3,(H,31,35)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3283-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.108
BindingDB Entry DOI: 10.7270/Q2B56NN3
More data for this
Ligand-Target Pair