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USPatent US10059713

Compile Data Set for Download or QSAR

Found 296 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
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270887
PNG
(4-(cyclohex-1-en-1-yl)-7-[(4-methoxybenzene)sulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1c(N)[nH]c2c(ncnc12)C1=CCCCC1 |t:24|
Show InChI InChI=1S/C19H20N4O3S/c1-26-13-7-9-14(10-8-13)27(24,25)18-17-16(23-19(18)20)15(21-11-22-17)12-5-3-2-4-6-12/h5,7-11,23H,2-4,6,20H2,1H3
PDB

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n/an/an/an/a 80n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270889
PNG
(7-(2-fluorobenzenesulfonyl)-2-methyl-4-(2,2,3-trim...)
Show SMILES CC1N(CCOC1(C)C)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1F
PDB

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n/an/an/an/a 47n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270915
PNG
(4-(cyclohex-1-en-1-yl)-7-{[4-(difluoromethoxy)benz...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccc(OC(F)F)cc1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C19H18F2N4O3S/c20-19(21)28-12-6-8-13(9-7-12)29(26,27)17-16-15(25-18(17)22)14(23-10-24-16)11-4-2-1-3-5-11/h4,6-10,19,25H,1-3,5,22H2
PDB

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n/an/an/an/a 52n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270922
PNG
(7-(benzenesulfonyl)-4-(cyclohex-1-en-1-yl)-2-ethyl...)
Show SMILES CCc1nc(C2=CCCCC2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C20H22N4O2S/c1-2-15-22-16(13-9-5-3-6-10-13)17-18(23-15)19(20(21)24-17)27(25,26)14-11-7-4-8-12-14/h4,7-9,11-12,24H,2-3,5-6,10,21H2,1H3
PDB

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n/an/an/an/a 55n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270924
PNG
(4-(cyclohex-1-en-1-yl)-7-[(4-methylbenzene)sulfony...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(N)[nH]c2c(ncnc12)C1=CCCCC1 |t:23|
Show InChI InChI=1S/C19H20N4O2S/c1-12-7-9-14(10-8-12)26(24,25)18-17-16(23-19(18)20)15(21-11-22-17)13-5-3-2-4-6-13/h5,7-11,23H,2-4,6,20H2,1H3
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n/an/an/an/a 32n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270928
PNG
(7-(benzenesulfonyl)-4-(3,3-dimethylpyrrolidin-4-yl...)
Show SMILES CC1(C)CCN(C1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H21N5O2S/c1-18(2)8-9-23(10-18)17-14-13(20-11-21-17)15(16(19)22-14)26(24,25)12-6-4-3-5-7-12/h3-7,11,22H,8-10,19H2,1-2H3
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n/an/an/an/a 153n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270942
PNG
(4-cyclohexyl-7-(3,4-difluorobenzenesulfonyl)-5H-py...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccc(F)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C18H18F2N4O2S/c19-12-7-6-11(8-13(12)20)27(25,26)17-16-15(24-18(17)21)14(22-9-23-16)10-4-2-1-3-5-10/h6-10,24H,1-5,21H2
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n/an/an/an/a 182n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270956
PNG
(4-cyclopentyl-7-(4-methoxybenzenesulfonyl)-5H-pyrr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1c(N)[nH]c2c(ncnc12)C1CCCC1
Show InChI InChI=1S/C18H20N4O3S/c1-25-12-6-8-13(9-7-12)26(23,24)17-16-15(22-18(17)19)14(20-10-21-16)11-4-2-3-5-11/h6-11,22H,2-5,19H2,1H3
PDB

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n/an/an/an/a 9n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270958
PNG
(3-(benzenesulfonyl)-7-bromo-1H-pyrrolo[3,2-c]pyrid...)
Show SMILES Nc1[nH]c2c(Br)cncc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H10BrN3O2S/c14-10-7-16-6-9-11(10)17-13(15)12(9)20(18,19)8-4-2-1-3-5-8/h1-7,17H,15H2
PDB

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n/an/an/an/a 135n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270966
PNG
(7-(benzenesulfonyl)-4-(2,2-dimethylmorpholin-4-yl)...)
Show SMILES CC1(C)CN(CCO1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H21N5O3S/c1-18(2)10-23(8-9-26-18)17-14-13(20-11-21-17)15(16(19)22-14)27(24,25)12-6-4-3-5-7-12/h3-7,11,22H,8-10,19H2,1-2H3
PDB

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n/an/an/an/a 29n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270982
PNG
(7-(benzenesulfonyl)-4-[2-(2-methylpropyl)morpholin...)
Show SMILES CC(C)CC1CN(CCO1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/an/a 145n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270984
PNG
(7-(benzenesulfonyl)-4-{6-oxa-9-azaspiro[4.5]decan-...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCOC2(CCCC2)C1
Show InChI InChI=1S/C20H23N5O3S/c21-18-17(29(26,27)14-6-2-1-3-7-14)15-16(24-18)19(23-13-22-15)25-10-11-28-20(12-25)8-4-5-9-20/h1-3,6-7,13,24H,4-5,8-12,21H2
PDB

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n/an/an/an/a 18n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270985
PNG
(7-(benzenesulfonyl)-4-(4-methylphenyl)-5H-pyrrolo[...)
Show SMILES Cc1ccc(cc1)-c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16N4O2S/c1-12-7-9-13(10-8-12)15-16-17(22-11-21-15)18(19(20)23-16)26(24,25)14-5-3-2-4-6-14/h2-11,23H,20H2,1H3
PDB

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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270993
PNG
(7-(benzenesulfonyl)-2-methyl-4-(2-methylmorpholin-...)
Show SMILES CC1CN(CCO1)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/an/a 19n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270996
PNG
(US10059713, Example 114)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCCC(C1)n1cccn1
PDB

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n/an/an/an/a 1.11E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271006
PNG
(4-(2-methylmorpholin-4-yl)-7-phenylmethanesulfonyl...)
Show SMILES CC1CN(CCO1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)Cc1ccccc1
PDB

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n/an/an/an/a 63n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271007
PNG
(7-(3-fluoro-4-methoxybenzenesulfonyl)-4-(2-methylm...)
Show SMILES COc1ccc(cc1F)S(=O)(=O)c1c(N)[nH]c2c(ncnc12)N1CCOC(C)C1
PDB

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n/an/an/an/a 5.52E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271023
PNG
(7-(benzenesulfonyl)-4-[2-(trifluoromethyl)morpholi...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCOC(C1)C(F)(F)F
PDB

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n/an/an/an/a 12n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271051
PNG
(US10059713, Example 171)
Show SMILES Nc1[nH]c2c(OCC3CC(F)(F)C3)ncnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H16F2N4O3S/c18-17(19)6-10(7-17)8-26-16-13-12(21-9-22-16)14(15(20)23-13)27(24,25)11-4-2-1-3-5-11/h1-5,9-10,23H,6-8,20H2
PDB

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n/an/an/an/a 134n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271065
PNG
(7-(benzenesulfonyl)-4-[2-(propan-2-yl)morpholin-4-...)
Show SMILES CC(C)C1CN(CCO1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/an/a 6n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271066
PNG
(4-(4,4-difluoropiperidin-1-yl)-7-(2-fluorobenzenes...)
Show SMILES Cc1nc(N2CCC(F)(F)CC2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H18F3N5O2S/c1-10-23-13-14(17(24-10)26-8-6-18(20,21)7-9-26)25-16(22)15(13)29(27,28)12-5-3-2-4-11(12)19/h2-5,25H,6-9,22H2,1H3
PDB

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n/an/an/an/a 14n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271067
PNG
(7-(benzenesulfonyl)-4-N-ethyl-4-N-(oxan-4-ylmethyl...)
Show SMILES CCN(CC1CCOCC1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H25N5O3S/c1-2-25(12-14-8-10-28-11-9-14)20-17-16(22-13-23-20)18(19(21)24-17)29(26,27)15-6-4-3-5-7-15/h3-7,13-14,24H,2,8-12,21H2,1H3
PDB

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n/an/an/an/a 5n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271071
PNG
(4-(2-ethylmorpholin-4-yl)-7-(4-methoxybenzenesulfo...)
Show SMILES CCC1CN(CCO1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccc(OC)cc1
PDB

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n/an/an/an/a 43n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271073
PNG
(4-(cyclopropylmethoxy)-7-(3-fluorobenzenesulfonyl)...)
Show SMILES Cc1nc(OCC2CC2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-8-10-5-6-10)22-16(19)15(13)26(23,24)12-4-2-3-11(18)7-12/h2-4,7,10,22H,5-6,8,19H2,1H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271079
PNG
(4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(3-fluoro...)
Show SMILES C[C@@H]1CN(C[C@@H](C)O1)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1cccc(F)c1 |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271098
PNG
(7-(benzenesulfonyl)-4-[(2R,5R)-2,5-dimethylmorphol...)
Show SMILES C[C@@H]1CN([C@H](C)CO1)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1 |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271104
PNG
(4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-7-(2-fluoro...)
Show SMILES C[C@H]1CN([C@@H](C)CO1)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1F |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271106
PNG
(3-(benzenesulfonyl)-7-(cyclohex-1-en-1-yl)-1H-pyrr...)
Show SMILES Nc1[nH]c2c(nncc2c1S(=O)(=O)c1ccccc1)C1=CCCCC1 |t:22|
Show InChI InChI=1S/C18H18N4O2S/c19-18-17(25(23,24)13-9-5-2-6-10-13)14-11-20-22-15(16(14)21-18)12-7-3-1-4-8-12/h2,5-7,9-11,21H,1,3-4,8,19H2
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271112
PNG
(7-(2-fluoro-4-methoxybenzenesulfonyl)-2-methyl-4-[...)
Show SMILES COc1ccc(c(F)c1)S(=O)(=O)c1c(N)[nH]c2c(nc(C)nc12)N1CCO[C@@H](C)C1 |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271122
PNG
(4-(2,2-dimethylmorpholin-4-yl)-7-(2-fluoro-4-metho...)
Show SMILES COc1ccc(c(F)c1)S(=O)(=O)c1c(N)[nH]c2c(nc(C)nc12)N1CCOC(C)(C)C1
Show InChI InChI=1S/C20H24FN5O4S/c1-11-23-15-16(19(24-11)26-7-8-30-20(2,3)10-26)25-18(22)17(15)31(27,28)14-6-5-12(29-4)9-13(14)21/h5-6,9,25H,7-8,10,22H2,1-4H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271127
PNG
(US10059713, Example 248)
Show SMILES CCC(CC)Oc1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3S/c1-4-12(5-2)25-18-15-14(20-11(3)21-18)16(17(19)22-15)26(23,24)13-9-7-6-8-10-13/h6-10,12,22H,4-5,19H2,1-3H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271159
PNG
(7-(4-chloro-2-fluorobenzenesulfonyl)-4-(2,2-dimeth...)
Show SMILES Cc1nc(N2CCOC(C)(C)C2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C19H21ClFN5O3S/c1-10-23-14-15(18(24-10)26-6-7-29-19(2,3)9-26)25-17(22)16(14)30(27,28)13-5-4-11(20)8-12(13)21/h4-5,8,25H,6-7,9,22H2,1-3H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271163
PNG
(7-(4-chloro-2-fluorobenzenesulfonyl)-2-methyl-4-[(...)
Show SMILES Cc1nc(N2CCO[C@@H](C2)C(F)(F)F)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccc(Cl)cc1F |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271171
PNG
(7-(2-fluorobenzenesulfonyl)-2-methyl-4-[(2R)-2-(tr...)
Show SMILES Cc1nc(N2CCO[C@H](C2)C(F)(F)F)c2[nH]c(N)c(c2n1)S(=O)(=O)c1cc(F)ccc1F |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271174
PNG
(7-(2,6-Difluorobenzenesulfonyl)-2-methyl-4-[(2S)-2...)
Show SMILES Cc1nc(N2CCO[C@@H](C2)C(F)(F)F)c2[nH]c(N)c(c2n1)S(=O)(=O)c1c(F)cccc1F |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271177
PNG
(7-(4-chloro-2-fluorobenzenesulfonyl)-2-methyl-4-[(...)
Show SMILES Cc1nc(N2CCO[C@H](C2)C(F)(F)F)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccc(Cl)cc1F |r|
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271181
PNG
(7-(2-fluorobenzenesulfonyl)-4-[2-(trifluoromethyl)...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1F)N1CCOC(C1)C(F)(F)F
PDB

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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270899
PNG
(3-(benzenesulfonyl)-7-(cyclohex-1-en-1-yl)-1H-pyrr...)
Show SMILES Nc1[nH]c2c(cncc2c1S(=O)(=O)c1ccccc1)C1=CCCCC1 |t:22|
Show InChI InChI=1S/C19H19N3O2S/c20-19-18(25(23,24)14-9-5-2-6-10-14)16-12-21-11-15(17(16)22-19)13-7-3-1-4-8-13/h2,5-7,9-12,22H,1,3-4,8,20H2
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n/an/an/an/a 5.09E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270902
PNG
(7-(benzenesulfonyl)-4-(cyclohex-1-en-1-yl)-2-methy...)
Show SMILES Cc1nc(C2=CCCCC2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccccc1 |t:4|
Show InChI InChI=1S/C19H20N4O2S/c1-12-21-15(13-8-4-2-5-9-13)16-17(22-12)18(19(20)23-16)26(24,25)14-10-6-3-7-11-14/h3,6-8,10-11,23H,2,4-5,9,20H2,1H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270912
PNG
(4-(azetidin-1-yl)-7-(benzenesulfonyl)-5H-pyrrolo[3...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCC1
Show InChI InChI=1S/C15H15N5O2S/c16-14-13(23(21,22)10-5-2-1-3-6-10)11-12(19-14)15(18-9-17-11)20-7-4-8-20/h1-3,5-6,9,19H,4,7-8,16H2
PDB

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n/an/an/an/a 9.53E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270914
PNG
(7-(benzenesulfonyl)-4-(pyrrolidin-1-yl)-5H-pyrrolo...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C16H17N5O2S/c17-15-14(24(22,23)11-6-2-1-3-7-11)12-13(20-15)16(19-10-18-12)21-8-4-5-9-21/h1-3,6-7,10,20H,4-5,8-9,17H2
PDB

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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270930
PNG
(4-(azepan-1-yl)-7-(benzenesulfonyl)-5H-pyrrolo[3,2...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C18H21N5O2S/c19-17-16(26(24,25)13-8-4-3-5-9-13)14-15(22-17)18(21-12-20-14)23-10-6-1-2-7-11-23/h3-5,8-9,12,22H,1-2,6-7,10-11,19H2
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270940
PNG
(7-(benzenesulfonyl)-4-(4-methylpiperidin-1-yl)-5H-...)
Show SMILES CC1CCN(CC1)c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H21N5O2S/c1-12-7-9-23(10-8-12)18-15-14(20-11-21-18)16(17(19)22-15)26(24,25)13-5-3-2-4-6-13/h2-6,11-12,22H,7-10,19H2,1H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270946
PNG
(7-(benzenesulfonyl)-4-N-ethyl-5H-pyrrolo[3,2-d]pyr...)
Show SMILES CCNc1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H15N5O2S/c1-2-16-14-11-10(17-8-18-14)12(13(15)19-11)22(20,21)9-6-4-3-5-7-9/h3-8,19H,2,15H2,1H3,(H,16,17,18)
PDB

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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM270948
PNG
(7-(benzenesulfonyl)-4-(pyridin-4-yl)-5H-pyrrolo[3,...)
Show SMILES Nc1[nH]c2c(ncnc2c1S(=O)(=O)c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C17H13N5O2S/c18-17-16(25(23,24)12-4-2-1-3-5-12)15-14(22-17)13(20-10-21-15)11-6-8-19-9-7-11/h1-10,22H,18H2
PDB

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n/an/an/an/a 2.41E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271020
PNG
(7-(benzenesulfonyl)-4-[(2R,6S)-2,6-dimethylmorphol...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1 |r|
PDB

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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271021
PNG
(7-(benzenesulfonyl)-4-(3,5-dimethyl-1H-pyrazol-1-y...)
Show SMILES Cc1cc(C)n(n1)-c1ncnc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H16N6O2S/c1-10-8-11(2)23(22-10)17-14-13(19-9-20-17)15(16(18)21-14)26(24,25)12-6-4-3-5-7-12/h3-9,21H,18H2,1-2H3
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n/an/an/an/a 13n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271025
PNG
(7-(benzenesulfonyl)-4-(4,4-difluoropiperidin-1-yl)...)
Show SMILES Cc1nc(N2CCC(F)(F)CC2)c2[nH]c(N)c(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19F2N5O2S/c1-11-22-13-14(17(23-11)25-9-7-18(19,20)8-10-25)24-16(21)15(13)28(26,27)12-5-3-2-4-6-12/h2-6,24H,7-10,21H2,1H3
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n/an/an/an/a 35n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271029
PNG
(7-(benzenesulfonyl)-2-methyl-4-(3-methylphenyl)-5H...)
Show SMILES Cc1cccc(c1)-c1nc(C)nc2c(c(N)[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-12-7-6-8-14(11-12)16-17-18(23-13(2)22-16)19(20(21)24-17)27(25,26)15-9-4-3-5-10-15/h3-11,24H,21H2,1-2H3
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n/an/an/an/a 252n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))		BDBM271037
PNG
(US10059713, Example 158)
Show SMILES Nc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1 |r|
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n/an/an/an/a 1.58E+3n/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...

US Patent US10059713 (2018)


BindingDB Entry DOI: 10.7270/Q2251M7X
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%