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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyamine deacetylase HDAC10' and Ligand = 'BDBM50530002'   
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
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...


J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...


J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair