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Compile Data Set for Download or QSAR

Found 17 hits of ec50 data for polymerid = 10726   
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
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64564
PNG
(US9428505, Compound 8)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CCCC1 |c:21|
Show InChI InChI=1S/C31H34F3N5O6S/c1-19-17-22(39-28(42)36-27(41)30(39)10-3-4-11-30)18-20(2)24(19)9-16-46(43,44)38-14-12-29(13-15-38)26(40)35-25(37-29)21-5-7-23(8-6-21)45-31(32,33)34/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,35,37,40)(H,36,41,42)
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n/an/an/an/a 3.60E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64562
PNG
(US9428505, Compound 7)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
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n/an/an/an/a 4.10E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64569
PNG
(US9428505, Comparative: Example 1)
Show SMILES Cc1cc(ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O |c:20|
Show InChI InChI=1S/C26H26F3N5O6S/c1-16-13-19(34-21(35)15-30-24(34)37)6-5-17(16)7-12-41(38,39)33-10-8-25(9-11-33)23(36)31-22(32-25)18-3-2-4-20(14-18)40-26(27,28)29/h2-6,13-14H,7-12,15H2,1H3,(H,30,37)(H,31,32,36)
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n/an/an/an/a 4.80E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64551
PNG
(US9428505, Compound 1)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H31F4N5O6S/c1-16-13-19(38-26(41)35-24(39)27(38,3)4)14-17(2)20(16)7-12-45(42,43)37-10-8-28(9-11-37)25(40)34-23(36-28)18-5-6-21(30)22(15-18)44-29(31,32)33/h5-6,13-15H,7-12H2,1-4H3,(H,34,36,40)(H,35,39,41)
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n/an/an/an/a 5.80E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64555
PNG
(US9428505, Compound 3)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(c1)C(F)(F)F)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H31F4N5O5S/c1-16-13-19(38-26(41)35-24(39)27(38,3)4)14-17(2)20(16)7-12-44(42,43)37-10-8-28(9-11-37)25(40)34-23(36-28)18-5-6-22(30)21(15-18)29(31,32)33/h5-6,13-15H,7-12H2,1-4H3,(H,34,36,40)(H,35,39,41)
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n/an/an/an/a 7.20E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64557
PNG
(US9428505, Compound 4)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)c(F)c1)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H31F4N5O6S/c1-16-13-19(38-26(41)35-24(39)27(38,3)4)14-17(2)20(16)7-12-45(42,43)37-10-8-28(9-11-37)25(40)34-23(36-28)18-5-6-22(21(30)15-18)44-29(31,32)33/h5-6,13-15H,7-12H2,1-4H3,(H,34,36,40)(H,35,39,41)
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n/an/an/an/a 7.40E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64559
PNG
(US9428505, Compound 5)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc2OC(F)(F)Oc2c1)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H31F2N5O7S/c1-16-13-19(36-26(39)33-24(37)27(36,3)4)14-17(2)20(16)7-12-44(40,41)35-10-8-28(9-11-35)25(38)32-23(34-28)18-5-6-21-22(15-18)43-29(30,31)42-21/h5-6,13-15H,7-12H2,1-4H3,(H,32,34,38)(H,33,37,39)
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n/an/an/an/a 8.10E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64575
PNG
(US9428505, Comparative: Example 3)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(c1)C(F)(F)F)N1C(=O)CNC1=O |c:21|
Show InChI InChI=1S/C27H27F4N5O5S/c1-15-11-18(36-22(37)14-32-25(36)39)12-16(2)19(15)5-10-42(40,41)35-8-6-26(7-9-35)24(38)33-23(34-26)17-3-4-21(28)20(13-17)27(29,30)31/h3-4,11-13H,5-10,14H2,1-2H3,(H,32,39)(H,33,34,38)
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n/an/an/an/a 9.00E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64561
PNG
(US9428505, Compound 6)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(c1)C(F)(F)F)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C29H32F3N5O5S/c1-17-14-21(37-26(40)34-24(38)27(37,3)4)15-18(2)22(17)8-13-43(41,42)36-11-9-28(10-12-36)25(39)33-23(35-28)19-6-5-7-20(16-19)29(30,31)32/h5-7,14-16H,8-13H2,1-4H3,(H,33,35,39)(H,34,38,40)
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n/an/an/an/a 9.00E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64567
PNG
(US9428505, Compound 11)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CC1 |c:21|
Show InChI InChI=1S/C29H30F3N5O6S/c1-17-15-20(37-26(40)34-25(39)28(37)8-9-28)16-18(2)22(17)7-14-44(41,42)36-12-10-27(11-13-36)24(38)33-23(35-27)19-3-5-21(6-4-19)43-29(30,31)32/h3-6,15-16H,7-14H2,1-2H3,(H,33,35,38)(H,34,39,40)
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n/an/an/an/a 1.10E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64565
PNG
(US9428505, Compound 9)
Show SMILES CN1CCC2(CC1)N(C(=O)NC2=O)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 |c:32|
Show InChI InChI=1S/C32H37F3N6O6S/c1-20-18-23(41-29(44)37-28(43)31(41)11-13-39(3)14-12-31)19-21(2)25(20)8-17-48(45,46)40-15-9-30(10-16-40)27(42)36-26(38-30)22-4-6-24(7-5-22)47-32(33,34)35/h4-7,18-19H,8-17H2,1-3H3,(H,36,38,42)(H,37,43,44)
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n/an/an/an/a 1.20E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64570
PNG
(US9428505, Comparative: Example 2)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O |c:21|
Show InChI InChI=1S/C27H28F3N5O6S/c1-16-12-19(35-22(36)15-31-25(35)38)13-17(2)21(16)6-11-42(39,40)34-9-7-26(8-10-34)24(37)32-23(33-26)18-4-3-5-20(14-18)41-27(28,29)30/h3-5,12-14H,6-11,15H2,1-2H3,(H,31,38)(H,32,33,37)
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n/an/an/an/a 1.30E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64553
PNG
(US9428505, Compound 2)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(Br)c1)N1C(=O)NC(=O)C1(C)C |c:21|
Show InChI InChI=1S/C28H32BrN5O5S/c1-17-14-21(34-26(37)31-24(35)27(34,3)4)15-18(2)22(17)8-13-40(38,39)33-11-9-28(10-12-33)25(36)30-23(32-28)19-6-5-7-20(29)16-19/h5-7,14-16H,8-13H2,1-4H3,(H,30,32,36)(H,31,35,37)
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n/an/an/an/a 1.40E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64566
PNG
(US9428505, Compound 10)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11COC1 |c:21|
Show InChI InChI=1S/C29H30F3N5O7S/c1-17-13-20(37-26(40)34-25(39)28(37)15-43-16-28)14-18(2)22(17)7-12-45(41,42)36-10-8-27(9-11-36)24(38)33-23(35-27)19-3-5-21(6-4-19)44-29(30,31)32/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,33,35,38)(H,34,39,40)
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n/an/an/an/a 2.10E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64578
PNG
(US9428505, Comparative: Example 5)
Show SMILES CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2C(C)C(=O)NC2=O)C(=O)N1 |r,wU:2.1,t:9,(-6.39,4.53,;-4.98,5.16,;-3.74,4.26,;-2.33,4.88,;-1.08,3.98,;-1.25,2.45,;-2.65,1.82,;-3.9,2.72,;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;6.99,-.77,;6.99,2.31,;8.53,.77,;9.3,2.1,;10.84,2.1,;11.61,3.44,;13.15,3.44,;13.92,2.1,;13.15,.77,;11.61,.77,;10.84,-.56,;15.46,2.1,;16.37,3.35,;15.89,4.81,;17.83,2.87,;19.08,3.78,;17.83,1.33,;16.37,.86,;15.89,-.61,;1.46,-.48,;1.94,-1.94,;)|
Show InChI InChI=1S/C28H39N5O5S/c1-4-20-5-7-22(8-6-20)24-29-26(35)28(31-24)12-14-32(15-13-28)39(37,38)16-11-21-9-10-23(17-18(21)2)33-19(3)25(34)30-27(33)36/h9-10,17,19-20,22H,4-8,11-16H2,1-3H3,(H,29,31,35)(H,30,34,36)/t19?,20-,22?
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n/an/an/an/a 2.50E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64579
PNG
(US9428505, Comparative: Example 6)
Show SMILES CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2C(=O)NC(=O)C2(C)C)C(=O)N1 |r,wU:2.1,t:9,(-6.39,4.53,;-4.98,5.16,;-3.74,4.26,;-2.33,4.88,;-1.08,3.98,;-1.25,2.45,;-2.65,1.82,;-3.9,2.72,;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;6.99,-.77,;6.99,2.31,;8.53,.77,;9.3,2.1,;10.84,2.1,;11.61,3.44,;13.15,3.44,;13.92,2.1,;13.15,.77,;11.61,.77,;10.84,-.56,;15.46,2.1,;16.37,3.35,;15.89,4.81,;17.83,2.87,;17.83,1.33,;19.08,.43,;16.37,.86,;16.67,-.65,;15.23,-.18,;1.46,-.48,;1.94,-1.94,;)|
Show InChI InChI=1S/C29H41N5O5S/c1-5-20-6-8-22(9-7-20)24-30-26(36)29(32-24)13-15-33(16-14-29)40(38,39)17-12-21-10-11-23(18-19(21)2)34-27(37)31-25(35)28(34,3)4/h10-11,18,20,22H,5-9,12-17H2,1-4H3,(H,30,32,36)(H,31,35,37)/t20-,22?
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US Patent
n/an/an/an/a 3.20E+4n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone [32-65]


(Homo sapiens (Human))
BDBM64577
PNG
(US9428505, Comparative: Example 4)
Show SMILES CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2CC(=O)NC2=O)C(=O)N1 |r,wU:2.1,t:9,(-6.39,-5.49,;-4.98,-6.11,;-3.74,-5.21,;-3.9,-3.68,;-2.65,-2.77,;-1.25,-3.4,;-1.08,-4.93,;-2.33,-5.83,;,-2.49,;1.46,-2.97,;2.37,-1.72,;3.14,-3.06,;4.68,-3.06,;5.45,-1.72,;4.68,-.39,;3.14,-.39,;6.99,-1.72,;6.99,-.18,;6.99,-3.26,;8.53,-1.72,;9.3,-3.06,;10.84,-3.06,;11.61,-4.39,;13.15,-4.39,;13.92,-3.06,;13.15,-1.72,;11.61,-1.72,;10.84,-.39,;15.46,-3.06,;16.37,-4.3,;17.83,-3.83,;19.08,-4.73,;17.83,-2.29,;16.37,-1.81,;15.89,-.34,;1.46,-.48,;2.09,.93,;,-.95,)|
Show InChI InChI=1S/C27H37N5O5S/c1-3-19-4-6-21(7-5-19)24-29-25(34)27(30-24)11-13-31(14-12-27)38(36,37)15-10-20-8-9-22(16-18(20)2)32-17-23(33)28-26(32)35/h8-9,16,19,21H,3-7,10-15,17H2,1-2H3,(H,28,33,35)(H,29,30,34)/t19-,21?
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a>1.00E+6n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair