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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'murata' and Initial = 's'   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
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25.7n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604840
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aR,16R)-14-(6- amino-9...)
Show SMILES Cn1cnc2n(cc(F)c2c1=O)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604844
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aR,16R)-14-(6- amino-9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]2[C@H]1F)O[C@H]3n1cc(Cl)c2c1nc[nH]c2=O |r|
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n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604842
PNG
(Synthesis of 7-[(5R,7R,8R,12aR,14R,15R,15aR,16R)-1...)
Show SMILES Cn1cnc2n(cc(F)c2c1=O)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
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n/an/a 83n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604821
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(6- amino-9...)
Show SMILES Cn1cnc2n(cc(F)c2c1=O)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r|
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n/an/a 170n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604841
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aR,16R)-14-(6- amino-9...)
Show SMILES Cn1cnc2n(cc(F)c2c1=O)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
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n/an/a 290n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604843
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aR,16R)-14-(6- amino-9...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@@](S)(=O)O[C@H]2[C@H]1F)O[C@H]3n1cc(Cl)c2c1nc[nH]c2=O |r|
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n/an/a 530n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM604839
PNG
(7-[(5R,7R,8R,12aR,14R,15R,15aS,16R)-14-(6- amino-9...)
Show SMILES Cn1cnc2n(cc(F)c2c1=O)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r|
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2N301WM
More data for this
Ligand-Target Pair