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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 = 'BDBM323709'   
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))
BDBM323709
PNG
(US10188756, Compound CN133 | US11207431, Martinost...)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
IC50 measurements were conducted by BPS Biosciences (Table 1) or by Nanosyn (Table 1A) with an established fluorescence assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639SXJ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM323709
PNG
(US10188756, Compound CN133 | US11207431, Martinost...)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a


TBA

Assay Description
IC50 measurements were conducted by BPS Biosciences (Table 1) or by Nanosyn (Table 1A) with an established fluorescence assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639SXJ
More data for this
Ligand-Target Pair