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Patent code US8592379

Compile Data Set for Download or QSAR
Found 11 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
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107307
PNG
(US8592379, 19)
Show SMILES CNC\C=C\[C@@H](CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H21NO/c1-9(2)8-11(10(3)13)6-5-7-12-4/h5-6,9,11-12H,7-8H2,1-4H3/b6-5+/t11-/m0/s1
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US Patent
n/an/a 0.120n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107314
PNG
(US8592379, 36 | US8592379, 37)
Show SMILES CNC[C@@H](O)CC(CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m0/s1
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US Patent
n/an/a 0.240n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107306
PNG
(US8592379, 1)
Show SMILES CNCC(=O)N[C@@H](CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107308
PNG
(US8592379, 20)
Show SMILES CNCCC[C@@H](CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H23NO/c1-9(2)8-11(10(3)13)6-5-7-12-4/h9,11-12H,5-8H2,1-4H3/t11-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107309
PNG
(US8592379, 21)
Show SMILES CNCCC=C(CC(C)C)C(C)=O |w:4.3|
Show InChI InChI=1S/C11H21NO/c1-9(2)8-11(10(3)13)6-5-7-12-4/h6,9,12H,5,7-8H2,1-4H3
PDB

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n/an/a 4.60n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107312
PNG
(US8592379, 24a/24b | US8592379, 35)
Show SMILES CNC[C@H](O)CC(CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107310
PNG
(US8592379, 22 | US8592379, 33)
Show SMILES CNC[C@H](O)\C=C(/CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H21NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10,12H,5-7H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107314
PNG
(US8592379, 36 | US8592379, 37)
Show SMILES CNC[C@@H](O)CC(CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m0/s1
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US Patent
n/an/a 32n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107312
PNG
(US8592379, 24a/24b | US8592379, 35)
Show SMILES CNC[C@H](O)CC(CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM47092
PNG
(US8592379, 23)
Show SMILES CNC[C@@H](O)\C=C(/CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C11H21NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h6,8,11-12,14H,5,7H2,1-4H3/b10-6+/t11-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM107316
PNG
(US8592379, 26)
Show SMILES CNCC(=O)N[C@H](CC(C)C)C(C)=O |r|
Show InChI InChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kyoto University; Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding inhibition assay using human GPR54.


US Patent US8592379 (2013)


BindingDB Entry DOI: 10.7270/Q2N0156N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%