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PubMed code 27113097

Compile data set for download or QSAR
Found 7 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))
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)
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 μL of HDAC8 solution was mixed with compounds at various concentrations (50 μL). T...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 °C. The APN solution was mixed with compounds at v...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM198191
PNG
(N1-hydroxy-N4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N2O3/c1-23(2)12-13-24(3,4)20-15-18(9-10-19(20)23)26-22(28)17-7-5-16(6-8-17)21(27)11-14-25-29/h5-10,15,25,29H,11-14H2,1-4H3,(H,26,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 μL of HDAC8 solution was mixed with compounds at various concentrations (50 μL). T...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM198191
PNG
(N1-hydroxy-N4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N2O3/c1-23(2)12-13-24(3,4)20-15-18(9-10-19(20)23)26-22(28)17-7-5-16(6-8-17)21(27)11-14-25-29/h5-10,15,25,29H,11-14H2,1-4H3,(H,26,28)
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n/an/a>1.00E+5n/an/an/an/a7.2n/a



Shandong University



Assay Description
Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 °C. The APN solution was mixed with compounds at v...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
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)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.2n/a



Shandong University



Assay Description
Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 °C. The APN solution was mixed with compounds at v...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University



Assay Description
Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 μL of HDAC8 solution was mixed with compounds at various concentrations (50 μL). T...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.2n/a



Shandong University



Assay Description
Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 °C. The APN solution was mixed with compounds at v...


Chem Biol Drug Des 88: 542-55 (2016)


Article DOI: 10.1111/cbdd.12778
BindingDB Entry DOI: 10.7270/Q2HX1BHT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%