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Patent code US8927536

Compile Data Set for Download or QSAR
Found 14 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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142001
PNG
(US8927536, 26)
Show SMILES CC1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C22H23FN4OS/c1-21(14-28)12-19-25-26-20(27(19)9-10-29-21)22(6-7-22)16-4-5-17(18(23)11-16)15-3-2-8-24-13-15/h2-5,8,11,13,28H,6-7,9-10,12,14H2,1H3
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US Patent
n/an/a 0.300n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142003
PNG
(US8927536, 34)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)C1(CC1)c1nnc2C[C@](C)(CO)SCCn12 |r|
Show InChI InChI=1S/C21H25N5OS/c1-20(14-27)11-18-23-24-19(26(18)9-10-28-20)21(7-8-21)17-5-3-15(4-6-17)16-12-22-25(2)13-16/h3-6,12-13,27H,7-11,14H2,1-2H3/t20-/m1/s1
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US Patent
n/an/a 1n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142008
PNG
(US8927536, 89)
Show SMILES Cc1ccc(nn1)-c1ccc(c(F)c1)C1(CC1)c1nnc2C[C@](C)(CO)SCCn12 |r|
Show InChI InChI=1S/C22H24FN5OS/c1-14-3-6-18(25-24-14)15-4-5-16(17(23)11-15)22(7-8-22)20-27-26-19-12-21(2,13-29)30-10-9-28(19)20/h3-6,11,29H,7-10,12-13H2,1-2H3/t21-/m1/s1
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n/an/a 1.30n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM141998
PNG
(US8927536, 4)
Show SMILES C[C@]1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H24N4OS/c1-21(15-27)13-19-24-25-20(26(19)11-12-28-21)22(8-9-22)18-6-4-16(5-7-18)17-3-2-10-23-14-17/h2-7,10,14,27H,8-9,11-13,15H2,1H3/t21-/m1/s1
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n/an/a 1.30n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142007
PNG
(US8927536, 88)
Show SMILES Cc1ncc(cn1)-c1ccc(cc1)C1(CC1)c1nnc2C[C@](C)(CO)SCCn12 |r|
Show InChI InChI=1S/C22H25N5OS/c1-15-23-12-17(13-24-15)16-3-5-18(6-4-16)22(7-8-22)20-26-25-19-11-21(2,14-28)29-10-9-27(19)20/h3-6,12-13,28H,7-11,14H2,1-2H3/t21-/m1/s1
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n/an/a 1.70n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142000
PNG
(US8927536, 9)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc(cc1)C1(CC1)c1nnc2CC(C)(CO)SCCn12
Show InChI InChI=1S/C26H30N4O2S/c1-25(17-31)16-22-27-28-24(30(22)13-14-33-25)26(11-12-26)21-9-7-18(8-10-21)19-5-4-6-20(15-19)23(32)29(2)3/h4-10,15,31H,11-14,16-17H2,1-3H3
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US Patent
n/an/a 1.80n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142002
PNG
(US8927536, 32)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)C1(CC1)c1nnc2CC(C)(CO)SCCn12
Show InChI InChI=1S/C21H25N5OS/c1-20(14-27)11-18-23-24-19(26(18)9-10-28-20)21(7-8-21)17-5-3-15(4-6-17)16-12-22-25(2)13-16/h3-6,12-13,27H,7-11,14H2,1-2H3
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US Patent
n/an/a 2n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142006
PNG
(US8927536, 81)
Show SMILES Cn1cc(cn1)-c1ccc(c(F)c1)C1(CC1)c1nnc2C[C@](C)(CO)SCCn12 |r|
Show InChI InChI=1S/C21H24FN5OS/c1-20(13-28)10-18-24-25-19(27(18)7-8-29-20)21(5-6-21)16-4-3-14(9-17(16)22)15-11-23-26(2)12-15/h3-4,9,11-12,28H,5-8,10,13H2,1-2H3/t20-/m1/s1
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n/an/a 2.20n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM141996
PNG
(US8927536, 2)
Show SMILES CC1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C22H24N4OS/c1-21(15-27)13-19-24-25-20(26(19)11-12-28-21)22(8-9-22)18-6-4-16(5-7-18)17-3-2-10-23-14-17/h2-7,10,14,27H,8-9,11-13,15H2,1H3
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US Patent
n/an/a 2.60n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM141999
PNG
(US8927536, 6)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C1(CC1)c1nnc2CC(C)(CO)SCCn12
Show InChI InChI=1S/C26H30N4O2S/c1-25(17-31)16-22-27-28-24(30(22)14-15-33-25)26(12-13-26)21-10-8-19(9-11-21)18-4-6-20(7-5-18)23(32)29(2)3/h4-11,31H,12-17H2,1-3H3
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US Patent
n/an/a 2.60n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM141995
PNG
(US8927536, 1)
Show SMILES CC1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H25N3OS/c1-22(16-27)15-20-24-25-21(26(20)13-14-28-22)23(11-12-23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,27H,11-16H2,1H3
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n/an/a 3.30n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142004
PNG
(US8927536, 67)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)c1nnc2CC(C)(CO)SCCn12
Show InChI InChI=1S/C25H29N5O2S/c1-24(16-31)14-21-27-28-23(30(21)12-13-33-24)25(10-11-25)19-7-4-17(5-8-19)20-9-6-18(15-26-20)22(32)29(2)3/h4-9,15,31H,10-14,16H2,1-3H3
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n/an/a 5.40n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM141997
PNG
(US8927536, 3)
Show SMILES C[C@@]1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H24N4OS/c1-21(15-27)13-19-24-25-20(26(19)11-12-28-21)22(8-9-22)18-6-4-16(5-7-18)17-3-2-10-23-14-17/h2-7,10,14,27H,8-9,11-13,15H2,1H3/t21-/m0/s1
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US Patent
n/an/a 6.30n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142005
PNG
(US8927536, 68)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)c1nnc2C[C@](C)(CO)SCCn12 |r|
Show InChI InChI=1S/C25H29N5O2S/c1-24(16-31)14-21-27-28-23(30(21)12-13-33-24)25(10-11-25)19-7-4-17(5-8-19)20-9-6-18(15-26-20)22(32)29(2)3/h4-9,15,31H,10-14,16H2,1-3H3/t24-/m1/s1
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US Patent
n/an/a 6.70n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 無, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%