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Compile Data Set for Download or QSAR

Found 454 hits with Last Name = 'miyazaki' and Initial = 't'   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148155
PNG
(US8962612, 26)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)|
Show InChI InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
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0.680 -54.4n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148163
PNG
(US8962612, 66)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cccc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-2,-2.31,;-.67,-3.08,;-1.44,-4.41,;.1,-4.41,;.67,-2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)|
Show InChI InChI=1S/C19H17F3N4O/c20-12-2-1-3-13(21)15(12)10-4-5-14(22)16-11(10)8-26(9-19(16)6-7-19)18(27)25-17(23)24/h1-5H,6-9H2,(H4,23,24,25,27)
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0.75 -54.2n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148169
PNG
(US8962612, 80)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H17F3N4O/c20-10-1-2-12(15(22)7-10)11-3-4-14(21)16-13(11)8-26(9-19(16)5-6-19)18(27)25-17(23)24/h1-4,7H,5-6,8-9H2,(H4,23,24,25,27)
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0.850 -53.9n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148165
PNG
(US8962612, 74)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-2,-3.08,;-.67,-3.85,;-1.44,-5.18,;.1,-5.18,;.67,-3.08,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)|
Show InChI InChI=1S/C19H16F4N4O/c20-9-5-13(22)15(14(23)6-9)10-1-2-12(21)16-11(10)7-27(8-19(16)3-4-19)18(28)26-17(24)25/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)
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0.880 -53.8n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148171
PNG
(US8962612, 86)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1ccccc1F
Show InChI InChI=1S/C19H18F2N4O/c20-14-4-2-1-3-12(14)11-5-6-15(21)16-13(11)9-25(10-19(16)7-8-19)18(26)24-17(22)23/h1-6H,7-10H2,(H4,22,23,24,26)
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0.950 -53.6n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148154
PNG
(US8962612, 23)
Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)|
Show InChI InChI=1S/C17H14ClF3N4O/c18-12-2-1-10(15-13(20)5-8(19)6-14(15)21)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
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1.10 -53.2n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148156
PNG
(US8962612, 28)
Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cccc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-.67,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)|
Show InChI InChI=1S/C17H15F3N4O/c18-12-5-4-10(15-13(19)2-1-3-14(15)20)11-8-24(7-6-9(11)12)17(25)23-16(21)22/h1-5H,6-8H2,(H4,21,22,23,25)
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1.10 -53.2n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135790
PNG
(US8853242, 162)
Show SMILES NC(N)=NC(=O)c1ccc2c(Cl)cnc(-c3c(F)cccc3F)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,)|
Show InChI InChI=1S/C17H11ClF2N4O/c18-11-7-23-15(14-12(19)2-1-3-13(14)20)10-6-8(4-5-9(10)11)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)
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1.20 -50.9n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135785
PNG
(US8853242, 152)
Show SMILES Cc1cnc(-c2c(F)cc(F)cc2F)c2cc(ccc12)C(=O)N=C(N)N |(-.38,-4.67,;-1.15,-3.33,;-2.69,-3.33,;-3.46,-2,;-2.69,-.67,;-3.47,.67,;-5,.67,;-5.78,-.67,;-5.78,2,;-5,3.33,;-5.78,4.67,;-3.47,3.33,;-2.69,2,;-1.15,2,;-1.15,-.67,;-.38,.67,;1.15,.67,;1.93,-.67,;1.15,-2,;-.38,-2,;1.93,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)|
Show InChI InChI=1S/C18H13F3N4O/c1-8-7-24-16(15-13(20)5-10(19)6-14(15)21)12-4-9(2-3-11(8)12)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)
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1.30 -50.7n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135780
PNG
(US8853242, 60)
Show SMILES NC(N)=NC(=O)c1ccc2ncc(Cl)c(-c3ccc(F)cc3F)c2c1 |(5.77,2.67,;4.23,2.67,;3.46,4,;3.46,1.33,;1.92,1.33,;1.15,2.67,;1.15,,;1.92,-1.33,;1.15,-2.67,;-.39,-2.67,;-1.15,-4,;-2.69,-4,;-3.46,-2.67,;-5,-2.67,;-2.69,-1.33,;-3.46,,;-2.7,1.33,;-3.46,2.67,;-5,2.67,;-5.77,4,;-5.77,1.33,;-5,,;-5.77,-1.33,;-1.15,-1.33,;-.39,,)|
Show InChI InChI=1S/C17H11ClF2N4O/c18-12-7-23-14-4-1-8(16(25)24-17(21)22)5-11(14)15(12)10-3-2-9(19)6-13(10)20/h1-7H,(H4,21,22,24,25)
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1.30 -50.7n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148167
PNG
(US8962612, 78)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H16F4N4O/c20-12-2-1-9(10-5-14(22)15(23)6-13(10)21)11-7-27(18(28)26-17(24)25)8-19(3-4-19)16(11)12/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)
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1.30 -52.8n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135783
PNG
(US8853242, 148)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3F)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,)|
Show InChI InChI=1S/C17H11F3N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)
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1.40 -50.5n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135782
PNG
(US8853242, 147)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3Cl)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,;-2,-.77,;-.67,,)|
Show InChI InChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)
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1.60 -50.2n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148164
PNG
(US8962612, 69)
Show SMILES CC1CN(Cc2c(ccc(F)c12)-c1c(F)cccc1F)C(=O)N=C(N)N |(-.67,-4.62,;-.67,-3.08,;.67,-2.31,;.67,-.77,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-2,-2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;2,,;2,1.54,;3.33,-.77,;4.67,,;6,-.77,;4.67,1.54,)|
Show InChI InChI=1/C18H17F3N4O/c1-9-7-25(18(26)24-17(22)23)8-11-10(5-6-14(21)15(9)11)16-12(19)3-2-4-13(16)20/h2-6,9H,7-8H2,1H3,(H4,22,23,24,26)
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1.60 -52.2n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135795
PNG
(US8853242, 192)
Show SMILES [#6]-c1cnc(-c2ccccc2F)c2cc(ccc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C18H15FN4O/c1-10-9-22-16(13-4-2-3-5-15(13)19)14-8-11(6-7-12(10)14)17(24)23-18(20)21/h2-9H,1H3,(H4,20,21,23,24)
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1.80 -49.9n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135792
PNG
(US8853242, 170)
Show SMILES Cc1cnc(-c2c(F)cccc2F)c2cc(ccc12)C(=O)N=C(N)N |(-3.33,-4.62,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;2,,;2,1.54,;3.33,-.77,;4.67,,;6,-.77,;4.67,1.54,)|
Show InChI InChI=1S/C18H14F2N4O/c1-9-8-23-16(15-13(19)3-2-4-14(15)20)12-7-10(5-6-11(9)12)17(25)24-18(21)22/h2-8H,1H3,(H4,21,22,24,25)
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1.90 -49.8n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148162
PNG
(US8962612, 62)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2FN5O/c17-8-5-12(18)14(22-6-8)10-1-2-13(19)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
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1.90 -51.8n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135796
PNG
(US8853242, 211)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(Cl)cnc(-c3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-13-7-23-15(11-4-2-9(19)6-14(11)20)12-5-8(1-3-10(12)13)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)
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2.30 -49.3n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148161
PNG
(US8962612, 61)
Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cncc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-.67,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)|
Show InChI InChI=1S/C16H14ClF2N5O/c17-11-2-1-9(14-12(18)5-22-6-13(14)19)10-7-24(4-3-8(10)11)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
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2.5 -51.1n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148157
PNG
(US8962612, 44)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(c2-[#6]-1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H15ClF2N4O/c18-14-4-3-10(12-2-1-9(19)7-15(12)20)13-8-24(6-5-11(13)14)17(25)23-16(21)22/h1-4,7H,5-6,8H2,(H4,21,22,23,25)
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2.70 -50.9n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148166
PNG
(US8962612, 76)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-[#6]-1-[#6]-[#6]-1
Show InChI InChI=1S/C16H19FN4O/c17-12-4-3-10(9-1-2-9)11-7-21(15(22)20-14(18)19)8-16(5-6-16)13(11)12/h3-4,9H,1-2,5-8H2,(H4,18,19,20,22)
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2.70 -50.9n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135788
PNG
(US8853242, 160)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccccc3F)c2c1
Show InChI InChI=1S/C17H12F2N4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)
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3.30 -48.4n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135789
PNG
(US8853242, 161)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H12ClFN4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)
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3.40 -48.3n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148153
PNG
(US8962612, 8)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2cccc(c2-[#6]-1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H15F3N4O/c18-13-7-15(20)14(19)6-11(13)10-3-1-2-9-4-5-24(8-12(9)10)17(25)23-16(21)22/h1-3,6-7H,4-5,8H2,(H4,21,22,23,25)
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3.60 -50.1n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135781
PNG
(US8853242, 114)
Show SMILES Cc1nc2ccc(cc2c(c1C)-c1c(F)cc(F)cc1F)C(=O)N=C(N)N |(-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-.67,-4.62,;.67,-3.85,;.67,-2.31,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-3.33,,;-4.67,.77,;-6,,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-2,.77,;-.67,,;2,-1.54,;2,,;3.33,-2.31,;4.67,-1.54,;6,-2.31,;4.67,,)|
Show InChI InChI=1S/C19H15F3N4O/c1-8-9(2)25-15-4-3-10(18(27)26-19(23)24)5-12(15)16(8)17-13(21)6-11(20)7-14(17)22/h3-7H,1-2H3,(H4,23,24,26,27)
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3.70 -48.1n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148168
PNG
(US8962612, 79)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H14F4N4O/c18-12-2-1-8(10-5-14(20)15(21)6-13(10)19)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
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3.70 -50.1n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148160
PNG
(US8962612, 60)
Show SMILES [#6]-c1ccc(c2-[#6]-[#7](-[#6]-[#6]-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7])-c1ncc(F)cc1F
Show InChI InChI=1S/C17H17F2N5O/c1-9-2-3-12(15-14(19)6-10(18)7-22-15)13-8-24(5-4-11(9)13)17(25)23-16(20)21/h2-3,6-7H,4-5,8H2,1H3,(H4,20,21,23,25)
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3.90 -49.9n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135784
PNG
(US8853242, 151)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccc(F)cc3Cl)c2c1
Show InChI InChI=1S/C17H11ClF2N4O/c18-13-6-9(19)2-4-11(13)15-12-5-8(16(25)24-17(21)22)1-3-10(12)14(20)7-23-15/h1-7H,(H4,21,22,24,25)
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4.10 -47.9n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148170
PNG
(US8962612, 81)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2cccc(c2-[#6]-1)-c1ncc(F)cc1F
Show InChI InChI=1S/C16H15F2N5O/c17-10-6-13(18)14(21-7-10)11-3-1-2-9-4-5-23(8-12(9)11)16(24)22-15(19)20/h1-3,6-7H,4-5,8H2,(H4,19,20,22,24)
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4.20 -49.7n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386646
PNG
(CHEMBL2048622)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO6S/c1-4-36(32,33)13-12-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-35-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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4.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148152
PNG
(US8962612, 4)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(Cl)cc1F
Show InChI InChI=1S/C16H14ClF2N5O/c17-8-5-13(19)14(22-6-8)10-1-2-12(18)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
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4.30 -49.7n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386648
PNG
(CHEMBL2048625)
Show SMILES CCS(=O)(=O)CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO5S/c1-4-36(33,34)13-12-35-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386650
PNG
(CHEMBL2048627)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H34FNO6S/c1-20-14-26(38-19-30(35)10-12-39(36,37)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-32-25-8-6-23(27(31)17-25)7-9-28(33)34/h3-6,8,14-17,32,35H,7,9-13,18-19H2,1-2H3,(H,33,34)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386644
PNG
(CHEMBL2048618)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H31FO5/c1-4-32-12-13-33-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-34-24-10-8-22(26(29)17-24)9-11-27(30)31/h5-8,10,14-17H,4,9,11-13,18H2,1-3H3,(H,30,31)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135794
PNG
(US8853242, 187)
Show SMILES NC(N)=NC(=O)c1ccc2c(cnc(-c3c(F)cccc3F)c2c1)C(F)F |(6,-.38,;4.67,.39,;4.67,1.93,;3.33,-.39,;2,.39,;2,1.93,;.67,-.38,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;-4.67,-1.93,;-4.67,-.39,;-3.33,.38,;-3.33,1.93,;-4.67,2.7,;-6,1.92,;-4.67,4.23,;-3.33,5,;-2,4.24,;-2,2.69,;-.67,1.92,;-2,-.39,;-.67,.39,;-3.33,-4.24,;-2,-5.01,;-4.67,-5.01,)|
Show InChI InChI=1S/C18H12F4N4O/c19-12-2-1-3-13(20)14(12)15-10-6-8(17(27)26-18(23)24)4-5-9(10)11(7-25-15)16(21)22/h1-7,16H,(H4,23,24,26,27)
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US Patent
4.60 -47.6n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135791
PNG
(US8853242, 164)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3Cl)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,;-2,-.77,;-.67,,)|
Show InChI InChI=1S/C16H10ClF2N5O/c17-10-4-22-5-12(19)13(10)14-9-3-7(15(25)24-16(20)21)1-2-8(9)11(18)6-23-14/h1-6H,(H4,20,21,24,25)
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4.70 -47.5n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386649
PNG
(CHEMBL2048626)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H32FNO5S/c1-19-14-26(36-25-10-12-37(34,35)13-11-25)15-20(2)29(19)23-5-3-4-21(16-23)18-31-24-8-6-22(27(30)17-24)7-9-28(32)33/h3-6,8,14-17,25,31H,7,9-13,18H2,1-2H3,(H,32,33)
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5.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135786
PNG
(US8853242, 157)
Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3F)c2c1 |(5.78,3.33,;4.23,3.33,;3.47,4.67,;3.47,2,;1.92,2,;1.15,3.33,;1.15,.67,;1.93,-.67,;1.15,-2,;-.38,-2,;-1.15,-3.33,;-.38,-4.67,;-2.69,-3.33,;-3.47,-2,;-2.69,-.67,;-3.47,.67,;-2.69,2,;-1.15,2,;-3.47,3.33,;-5,3.33,;-5.78,2,;-5.01,.67,;-5.78,-.67,;-1.15,-.67,;-.38,.67,)|
Show InChI InChI=1S/C16H10F3N5O/c17-10-6-23-14(13-11(18)4-22-5-12(13)19)9-3-7(1-2-8(9)10)15(25)24-16(20)21/h1-6H,(H4,20,21,24,25)
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5.30 -47.2n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386641
PNG
(CHEMBL2048615)
Show SMILES Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C28H30O4/c1-19-14-26(32-17-22-6-7-22)15-20(2)28(19)24-5-3-4-23(16-24)18-31-25-11-8-21(9-12-25)10-13-27(29)30/h3-5,8-9,11-12,14-16,22H,6-7,10,13,17-18H2,1-2H3,(H,29,30)
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5.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135793
PNG
(US8853242, 171)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ncc(F)cc3Cl)c2c1
Show InChI InChI=1S/C16H10ClF2N5O/c17-11-4-8(18)5-22-14(11)13-10-3-7(15(25)24-16(20)21)1-2-9(10)12(19)6-23-13/h1-6H,(H4,20,21,24,25)
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6.20 -46.8n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386651
PNG
(CHEMBL2048628)
Show SMILES CCOCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C28H32FNO4/c1-4-33-12-13-34-25-14-19(2)28(20(3)15-25)23-7-5-6-21(16-23)18-30-24-10-8-22(26(29)17-24)9-11-27(31)32/h5-8,10,14-17,30H,4,9,11-13,18H2,1-3H3,(H,31,32)
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6.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386640
PNG
(CHEMBL2048614)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C25H26O4/c1-17-13-23(28-3)14-18(2)25(17)21-6-4-5-20(15-21)16-29-22-10-7-19(8-11-22)9-12-24(26)27/h4-8,10-11,13-15H,9,12,16H2,1-3H3,(H,26,27)
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6.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386637
PNG
(CHEMBL2048623)
Show SMILES Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO6S/c1-19-14-26(36-24-10-12-37(33,34)13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-35-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
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6.40n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148159
PNG
(US8962612, 49)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6](F)-c2c(Cl)ccc(c2-[#6]-1)-c1ccc(F)cc1F
Show InChI InChI=1/C17H14ClF3N4O/c18-12-4-3-9(10-2-1-8(19)5-13(10)20)11-6-25(7-14(21)15(11)12)17(26)24-16(22)23/h1-5,14H,6-7H2,(H4,22,23,24,26)
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6.60 -48.6n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386639
PNG
(CHEMBL2048619)
Show SMILES Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C29H31FO5/c1-19-14-26(35-24-10-12-33-13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-34-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
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6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386638
PNG
(CHEMBL2048620)
Show SMILES Cc1cccc(Oc2cc(C)c(c(C)c2)-c2cccc(COc3ccc(CCC(O)=O)c(F)c3)c2)n1
Show InChI InChI=1S/C30H28FNO4/c1-19-14-26(36-28-9-4-6-21(3)32-28)15-20(2)30(19)24-8-5-7-22(16-24)18-35-25-12-10-23(27(31)17-25)11-13-29(33)34/h4-10,12,14-17H,11,13,18H2,1-3H3,(H,33,34)
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6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386642
PNG
(CHEMBL2048616)
Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C31H30O4/c1-22-17-29(35-20-25-7-4-3-5-8-25)18-23(2)31(22)27-10-6-9-26(19-27)21-34-28-14-11-24(12-15-28)13-16-30(32)33/h3-12,14-15,17-19H,13,16,20-21H2,1-2H3,(H,32,33)
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6.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM148158
PNG
(US8962612, 46)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(F)cc1F
Show InChI InChI=1S/C16H14F3N5O/c17-8-5-13(19)14(22-6-8)10-1-2-12(18)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
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6.90 -48.5n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM135787
PNG
(US8853242, 159)
Show SMILES COc1cccc(F)c1-c1ncc(F)c2ccc(cc12)C(=O)N=C(N)N |(-5.08,-2.13,;-5.85,-.8,;-5.08,.53,;-5.78,2,;-5,3.33,;-3.47,3.33,;-2.69,2,;-1.15,2,;-3.47,.67,;-2.69,-.67,;-3.47,-2,;-2.69,-3.33,;-1.15,-3.33,;-.38,-4.67,;-.38,-2,;1.15,-2,;1.92,-.67,;1.15,.67,;-.38,.67,;-1.15,-.67,;1.92,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)|
Show InChI InChI=1S/C18H14F2N4O2/c1-26-14-4-2-3-12(19)15(14)16-11-7-9(17(25)24-18(21)22)5-6-10(11)13(20)8-23-16/h2-8H,1H3,(H4,21,22,24,25)
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7.10 -46.5n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...


US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50386647
PNG
(CHEMBL2048624)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show InChI InChI=1S/C30H33FO7S/c1-20-14-26(38-19-30(34)10-12-39(35,36)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-37-25-8-6-23(27(31)17-25)7-9-28(32)33/h3-6,8,14-17,34H,7,9-13,18-19H2,1-2H3,(H,32,33)
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8.20n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...


J Med Chem 55: 3756-76 (2012)


Article DOI: 10.1021/jm2016123
BindingDB Entry DOI: 10.7270/Q2N58NDH
More data for this
Ligand-Target Pair
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