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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'spinrath' and Initial = 'a'   
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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227023
PNG
(1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone |...)
Show SMILES COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227023
PNG
(1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone |...)
Show SMILES COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227023
PNG
(1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone |...)
Show SMILES COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/an/an/a 80.4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50205413
PNG
(CHEMBL221326 | P(1),P(4)-bis(uridin-5'-yl) tetraph...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/s2
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n/an/an/an/a 112n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118220
PNG
((ppA)2 | A(5')p4(5')A | CHEMBL339385 | P(1),P(4)-b...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/s2
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n/an/an/an/a 145n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/s2
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n/an/an/an/a 95.8n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/s2
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n/an/an/an/a 63.1n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 781n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 1 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 80.4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 59n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM22496
PNG
(3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...)
Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
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n/an/an/an/a 47.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in CHO cells by Gal4 luciferase reporter gene assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413154
PNG
(CHEMBL473459)
Show SMILES OC(=O)COc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C16H12O3/c17-16(18)12-19-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,12H2,(H,17,18)
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n/an/an/an/a 1.26E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413155
PNG
(CHEMBL486145)
Show SMILES Cc1ccccc1C#Cc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C17H14O3/c1-13-4-2-3-5-15(13)9-6-14-7-10-16(11-8-14)20-12-17(18)19/h2-5,7-8,10-11H,12H2,1H3,(H,18,19)
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n/an/an/an/a 3.72E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413156
PNG
(CHEMBL449321)
Show SMILES OC(=O)COc1ccc(cc1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C16H12O4/c17-14-3-1-2-13(10-14)5-4-12-6-8-15(9-7-12)20-11-16(18)19/h1-3,6-10,17H,11H2,(H,18,19)
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n/an/an/an/a 5.62E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413157
PNG
(CHEMBL446575)
Show SMILES Nc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H15NO2/c18-16-3-1-2-15(12-16)9-8-13-4-6-14(7-5-13)10-11-17(19)20/h1-7,12H,10-11,18H2,(H,19,20)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413158
PNG
(CHEMBL488385)
Show SMILES OCc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O3/c19-13-17-3-1-2-16(12-17)9-8-14-4-6-15(7-5-14)10-11-18(20)21/h1-7,12,19H,10-11,13H2,(H,20,21)
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n/an/an/an/a 891n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413159
PNG
(CHEMBL488395)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(C=O)c1
Show InChI InChI=1S/C18H14O3/c19-13-17-3-1-2-16(12-17)9-8-14-4-6-15(7-5-14)10-11-18(20)21/h1-7,12-13H,10-11H2,(H,20,21)
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n/an/an/an/a 355n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413160
PNG
(CHEMBL488396)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H13NO4/c19-17(20)11-10-14-6-4-13(5-7-14)8-9-15-2-1-3-16(12-15)18(21)22/h1-7,12H,10-11H2,(H,19,20)
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n/an/an/an/a 58.9n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413161
PNG
(CHEMBL526510)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C18H13NO2/c19-13-17-3-1-2-16(12-17)9-8-14-4-6-15(7-5-14)10-11-18(20)21/h1-7,12H,10-11H2,(H,20,21)
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n/an/an/an/a 91.2n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413162
PNG
(CHEMBL487570)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C#C
Show InChI InChI=1S/C19H14O2/c1-2-15-4-3-5-18(14-15)11-10-16-6-8-17(9-7-16)12-13-19(20)21/h1,3-9,14H,12-13H2,(H,20,21)
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n/an/an/an/a 155n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413163
PNG
(CHEMBL487365)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H13F3O2/c19-18(20,21)16-3-1-2-15(12-16)9-8-13-4-6-14(7-5-13)10-11-17(22)23/h1-7,12H,10-11H2,(H,22,23)
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n/an/an/an/a 89.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413164
PNG
(CHEMBL454257)
Show SMILES Cc1cccc(c1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O2/c1-14-3-2-4-17(13-14)10-9-15-5-7-16(8-6-15)11-12-18(19)20/h2-8,13H,11-12H2,1H3,(H,19,20)
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n/an/an/an/a 43.6n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413165
PNG
(CHEMBL485738)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O2/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)12-13-18(19)20/h2-5,8-11H,12-13H2,1H3,(H,19,20)
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n/an/an/an/a 107n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413166
PNG
(CHEMBL485935)
Show SMILES Cc1cccc(C#Cc2ccc(CCC(O)=O)cc2)c1C
Show InChI InChI=1S/C19H18O2/c1-14-4-3-5-18(15(14)2)12-10-16-6-8-17(9-7-16)11-13-19(20)21/h3-9H,11,13H2,1-2H3,(H,20,21)
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n/an/an/an/a 87.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413167
PNG
(CHEMBL519548)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1cccc(\C=C\C=C)c1\C=C\C=C
Show InChI InChI=1S/C25H22O2/c1-3-5-8-22-9-7-10-23(24(22)11-6-4-2)18-16-20-12-14-21(15-13-20)17-19-25(26)27/h3-15H,1-2,17,19H2,(H,26,27)/b8-5+,11-6+
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n/an/an/an/a 85.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413168
PNG
(CHEMBL486139)
Show SMILES Cc1cc(C)cc(c1)C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C19H18O2/c1-14-11-15(2)13-18(12-14)8-7-16-3-5-17(6-4-16)9-10-19(20)21/h3-6,11-13H,9-10H2,1-2H3,(H,20,21)
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n/an/an/an/a 74.1n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50205413
PNG
(CHEMBL221326 | P(1),P(4)-bis(uridin-5'-yl) tetraph...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/s2
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n/an/an/an/a 179n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118220
PNG
((ppA)2 | A(5')p4(5')A | CHEMBL339385 | P(1),P(4)-b...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/s2
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n/an/an/an/a 167n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellula...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50413169
PNG
(CHEMBL485713)
Show SMILES Cc1cccc(c1)C#Cc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C17H14O3/c1-13-3-2-4-15(11-13)6-5-14-7-9-16(10-8-14)20-12-17(18)19/h2-4,7-11H,12H2,1H3,(H,18,19)
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n/an/an/an/a 513n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50275510
PNG
(3-(4-(Phenylethynyl)phenyl)propanoic acid | CHEMBL...)
Show SMILES OC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H14O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)
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n/an/an/an/a 96n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50275597
PNG
(3-(4-(o-Tolylethynyl)phenyl)propanoic acid | CHEMB...)
Show SMILES Cc1ccccc1C#Cc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
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n/an/an/an/a 32n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay


J Med Chem 51: 7061-4 (2009)


Article DOI: 10.1021/jm8010178
BindingDB Entry DOI: 10.7270/Q2D79B8W
More data for this
Ligand-Target Pair