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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hdac5 protein' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Hdac5 protein


(Rattus norvegicus)
BDBM50047418
PNG
(CHEMBL3319223)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1
Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
Hdac5 protein


(Rattus norvegicus)
BDBM50146077
PNG
(CHEMBL3763388)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+
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PC cid
PC sid
UniChem

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PubMed
n/an/a 18n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)

More data for this
Ligand-Target Pair
Hdac5 protein


(Rattus norvegicus)
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
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PC cid
PC sid
UniChem

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PubMed
n/an/a 21n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)

More data for this
Ligand-Target Pair
Hdac5 protein


(Rattus norvegicus)
BDBM50146075
PNG
(CHEMBL3765502)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)

More data for this
Ligand-Target Pair