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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'bral' and Initial = 'c'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50050712
PNG
(CHEMBL3318007)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|
Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


J Med Chem 57: 6668-78 (2014)


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032334
PNG
(CHEMBL3353541)
Show SMILES C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032340
PNG
(CHEMBL3353514)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032437
PNG
(CHEMBL3353533)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C28H28N2O5S/c1-28(11-13-30(28)25(31)16-21-18-36-24-6-3-2-5-22(21)24)27(34)29(12-4-7-26(32)33)17-19-8-9-20-10-14-35-23(20)15-19/h2-3,5-6,8-10,14-15,18H,4,7,11-13,16-17H2,1H3,(H,32,33)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032302
PNG
(CHEMBL3353483)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032438
PNG
(CHEMBL3353534)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
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n/an/a 40n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032300
PNG
(CHEMBL3353485)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-26(12-14-29(26)23(30)15-19-17-34-22-6-3-2-5-21(19)22)25(33)28(13-4-7-24(31)32)16-18-8-10-20(27)11-9-18/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,31,32)
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n/an/a 42n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032305
PNG
(CHEMBL3353480)
Show SMILES CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C26H30ClN3O4S2/c1-26(12-14-30(26)24(31)16-20-18-35-23-7-4-3-6-22(20)23)25(32)29(13-5-15-36(33,34)28-2)17-19-8-10-21(27)11-9-19/h3-4,6-11,18,28H,5,12-17H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032378
PNG
(CHEMBL3353532)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C28H29N3O4S/c1-28(11-14-31(28)25(32)16-21-18-36-24-6-3-2-5-22(21)24)27(35)30(13-4-7-26(33)34)17-19-8-9-20-10-12-29-23(20)15-19/h2-3,5-6,8-10,12,15,18,29H,4,7,11,13-14,16-17H2,1H3,(H,33,34)
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n/an/a 48n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032375
PNG
(CHEMBL3353530)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-26(12-14-32(26)23(33)15-19-17-37-22-6-3-2-5-21(19)22)25(36)31(13-4-7-24(34)35)16-18-8-10-20(11-9-18)27(28,29)30/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,34,35)
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n/an/a 57n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032337
PNG
(CHEMBL3353511)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(12-14-27(24)22(30)19-15-32-20-6-3-2-5-18(19)20)23(31)26(13-4-7-21(28)29)17-10-8-16(25)9-11-17/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,28,29)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032341
PNG
(CHEMBL3353515)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H27N3O4S/c1-27(11-14-30(27)25(33)21-17-35-23-6-3-2-5-20(21)23)26(34)29(13-4-7-24(31)32)16-18-8-9-19-10-12-28-22(19)15-18/h2-3,5-6,8-10,12,15,17,28H,4,7,11,13-14,16H2,1H3,(H,31,32)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032326
PNG
(CHEMBL3353475)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H34ClN3O4S/c1-30(12-14-34(30)28(36)19-23-21-39-26-6-3-2-5-25(23)26)29(37)33(20-22-8-10-24(31)11-9-22)13-4-7-27(35)32-15-17-38-18-16-32/h2-3,5-6,8-11,21H,4,7,12-20H2,1H3
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n/an/a 76n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032330
PNG
(CHEMBL3353479)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCS(N)(=O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O4S2/c1-25(11-13-29(25)23(30)15-19-17-34-22-6-3-2-5-21(19)22)24(31)28(12-4-14-35(27,32)33)16-18-7-9-20(26)10-8-18/h2-3,5-10,17H,4,11-16H2,1H3,(H2,27,32,33)
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n/an/a 76n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032370
PNG
(CHEMBL3353526)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cc[nH]c3c2)c1
Show InChI InChI=1S/C28H33N3O4/c1-19-13-20(2)15-22(14-19)17-25(32)31-12-9-28(31,3)27(35)30(11-4-5-26(33)34)18-21-6-7-23-8-10-29-24(23)16-21/h6-8,10,13-16,29H,4-5,9,11-12,17-18H2,1-3H3,(H,33,34)
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n/an/a 85n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032442
PNG
(CHEMBL3353538)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
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n/an/a 90n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032439
PNG
(CHEMBL3353535)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2scnc2c1
Show InChI InChI=1S/C27H27N3O4S2/c1-27(10-12-30(27)24(31)14-19-16-35-22-6-3-2-5-20(19)22)26(34)29(11-4-7-25(32)33)15-18-8-9-23-21(13-18)28-17-36-23/h2-3,5-6,8-9,13,16-17H,4,7,10-12,14-15H2,1H3,(H,32,33)
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n/an/a 95n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032342
PNG
(CHEMBL3353516)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C27H26N2O5S/c1-27(11-13-29(27)25(32)21-17-35-23-6-3-2-5-20(21)23)26(33)28(12-4-7-24(30)31)16-18-8-9-19-10-14-34-22(19)15-18/h2-3,5-6,8-10,14-15,17H,4,7,11-13,16H2,1H3,(H,30,31)
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n/an/a 115n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032443
PNG
(CHEMBL3353539)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C28H28N2O6/c1-28(11-13-30(28)25(31)16-21-18-36-23-6-3-2-5-22(21)23)27(34)29(12-4-7-26(32)33)17-19-8-9-20-10-14-35-24(20)15-19/h2-3,5-6,8-10,14-15,18H,4,7,11-13,16-17H2,1H3,(H,32,33)
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n/an/a 116n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032279
PNG
(CHEMBL3353502)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(12-14-28(25)23(31)20-16-33-21-6-3-2-5-19(20)21)24(32)27(13-4-7-22(29)30)15-17-8-10-18(26)11-9-17/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3,(H,29,30)
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n/an/a 118n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032319
PNG
(CHEMBL3353468)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H28ClN3O3/c1-16-10-17(2)12-19(11-16)13-22(30)28-9-8-24(28,3)23(31)27(15-21(26)29)14-18-4-6-20(25)7-5-18/h4-7,10-12H,8-9,13-15H2,1-3H3,(H2,26,29)
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n/an/a 123n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032343
PNG
(CHEMBL3353517)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C26H26N4O4S/c1-26(10-12-30(26)24(33)20-16-35-22-6-3-2-5-19(20)22)25(34)29(11-4-7-23(31)32)15-17-8-9-18-14-27-28-21(18)13-17/h2-3,5-6,8-9,13-14,16H,4,7,10-12,15H2,1H3,(H,27,28)(H,31,32)
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n/an/a 130n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032444
PNG
(CHEMBL3353540)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
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n/an/a 138n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032285
PNG
(CHEMBL3353498)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H21ClN2O2S/c1-22(21(27)24(2)13-15-7-9-16(23)10-8-15)11-12-25(22)20(26)18-14-28-19-6-4-3-5-17(18)19/h3-10,14H,11-13H2,1-2H3
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n/an/a 142n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032317
PNG
(CHEMBL3353466)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC#N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN3O2S/c1-26(25(32)29(14-5-4-13-28)17-19-8-10-21(27)11-9-19)12-15-30(26)24(31)16-20-18-33-23-7-3-2-6-22(20)23/h2-3,6-11,18H,4-5,12,14-17H2,1H3
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n/an/a 143n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032373
PNG
(CHEMBL3353528)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C27H32N4O4/c1-18-11-19(2)13-21(12-18)15-24(32)31-10-8-27(31,3)26(35)30(9-4-5-25(33)34)17-20-6-7-22-16-28-29-23(22)14-20/h6-7,11-14,16H,4-5,8-10,15,17H2,1-3H3,(H,28,29)(H,33,34)
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n/an/a 156n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032322
PNG
(CHEMBL3353471)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(N)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H32ClN3O3/c1-18-13-19(2)15-21(14-18)16-24(32)30-12-10-26(30,3)25(33)29(11-4-5-23(28)31)17-20-6-8-22(27)9-7-20/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H2,28,31)
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n/an/a 158n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032278
PNG
(CHEMBL3353503)
Show SMILES CC1(CCN1C(=O)CC1=COC2C=CC=CC12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1 |c:13,15,t:9|
Show InChI InChI=1S/C26H29ClN2O5/c1-26(12-14-29(26)23(30)15-19-17-34-22-6-3-2-5-21(19)22)25(33)28(13-4-7-24(31)32)16-18-8-10-20(27)11-9-18/h2-3,5-6,8-11,17,21-22H,4,7,12-16H2,1H3,(H,31,32)
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n/an/a 166n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032349
PNG
(CHEMBL3353523)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H31ClN2O4/c1-18-13-19(2)15-21(14-18)16-23(30)29-12-10-26(29,3)25(33)28(11-4-5-24(31)32)17-20-6-8-22(27)9-7-20/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H,31,32)
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n/an/a 179n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032277
PNG
(CHEMBL3353504)
Show SMILES CC1(CCN1C(=O)CC1=COC2C=CC=CC12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1 |c:13,15,t:9|
Show InChI InChI=1S/C24H25ClN2O5/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15,19-20H,10-14H2,1H3,(H,29,30)
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n/an/a 227n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032329
PNG
(CHEMBL3353478)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCS(N)(=O)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H32ClN3O4S/c1-18-13-19(2)15-21(14-18)16-23(30)29-11-9-25(29,3)24(31)28(10-4-12-34(27,32)33)17-20-5-7-22(26)8-6-20/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H2,27,32,33)
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n/an/a 245n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032316
PNG
(CHEMBL3353465)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CC#N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O2S/c1-24(23(30)27(13-11-26)15-17-6-8-19(25)9-7-17)10-12-28(24)22(29)14-18-16-31-21-5-3-2-4-20(18)21/h2-9,16H,10,12-15H2,1H3
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n/an/a 247n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032339
PNG
(CHEMBL3353513)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O4S/c1-25(12-14-31(25)23(34)20-16-36-21-6-3-2-5-19(20)21)24(35)30(13-4-7-22(32)33)15-17-8-10-18(11-9-17)26(27,28)29/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3,(H,32,33)
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n/an/a 256n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032440
PNG
(CHEMBL3353536)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O5/c1-26(12-14-32(26)23(33)15-19-17-37-22-6-3-2-5-21(19)22)25(36)31(13-4-7-24(34)35)16-18-8-10-20(11-9-18)27(28,29)30/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,34,35)
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n/an/a 261n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032304
PNG
(CHEMBL3353481)
Show SMILES CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C26H34ClN3O4S/c1-19-14-20(2)16-22(15-19)17-24(31)30-12-10-26(30,3)25(32)29(11-5-13-35(33,34)28-4)18-21-6-8-23(27)9-7-21/h6-9,14-16,28H,5,10-13,17-18H2,1-4H3
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n/an/a 263n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032309
PNG
(CHEMBL3353001)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C23H23ClN2O2S/c1-23(22(28)25(2)14-16-7-9-18(24)10-8-16)11-12-26(23)21(27)13-17-15-29-20-6-4-3-5-19(17)20/h3-10,15H,11-14H2,1-2H3
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n/an/a 274n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032303
PNG
(CHEMBL3353482)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CC(O)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H27ClN2O4/c1-16-10-17(2)12-19(11-16)13-21(28)27-9-8-24(27,3)23(31)26(15-22(29)30)14-18-4-6-20(25)7-5-18/h4-7,10-12H,8-9,13-15H2,1-3H3,(H,29,30)
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032301
PNG
(CHEMBL3353484)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(24(32)27(12-10-23(30)31)15-17-6-8-19(26)9-7-17)11-13-28(25)22(29)14-18-16-33-21-5-3-2-4-20(18)21/h2-9,16H,10-15H2,1H3,(H,30,31)
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n/an/a 317n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032344
PNG
(CHEMBL3353518)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2scnc2c1
Show InChI InChI=1S/C26H25N3O4S2/c1-26(10-12-29(26)24(32)19-15-34-21-6-3-2-5-18(19)21)25(33)28(11-4-7-23(30)31)14-17-8-9-22-20(13-17)27-16-35-22/h2-3,5-6,8-9,13,15-16H,4,7,10-12,14H2,1H3,(H,30,31)
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n/an/a 321n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032327
PNG
(CHEMBL3353476)
Show SMILES CC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C26H28ClN3O3S/c1-18(31)28-12-14-29(16-19-7-9-21(27)10-8-19)25(33)26(2)11-13-30(26)24(32)15-20-17-34-23-6-4-3-5-22(20)23/h3-10,17H,11-16H2,1-2H3,(H,28,31)
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n/an/a 337n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032338
PNG
(CHEMBL3353512)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(11-13-27(24)22(30)19-15-32-20-9-3-2-8-18(19)20)23(31)26(12-5-10-21(28)29)17-7-4-6-16(25)14-17/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,28,29)
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n/an/a 347n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032318
PNG
(CHEMBL3353467)
Show SMILES COC(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C27H33ClN2O4/c1-19-14-20(2)16-22(15-19)17-24(31)30-13-11-27(30,3)26(33)29(12-5-6-25(32)34-4)18-21-7-9-23(28)10-8-21/h7-10,14-16H,5-6,11-13,17-18H2,1-4H3
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032325
PNG
(CHEMBL3353474)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H38ClN3O4/c1-22-17-23(2)19-25(18-22)20-28(36)34-12-10-30(34,3)29(37)33(21-24-6-8-26(31)9-7-24)11-4-5-27(35)32-13-15-38-16-14-32/h6-9,17-19H,4-5,10-16,20-21H2,1-3H3
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n/an/a 388n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032328
PNG
(CHEMBL3353477)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCNS(C)(=O)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H32ClN3O4S/c1-18-13-19(2)15-21(14-18)16-23(30)29-11-9-25(29,3)24(31)28(12-10-27-34(4,32)33)17-20-5-7-22(26)8-6-20/h5-8,13-15,27H,9-12,16-17H2,1-4H3
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032320
PNG
(CHEMBL3353469)
Show SMILES CNC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-17-11-18(2)13-20(12-17)14-23(31)29-10-9-25(29,3)24(32)28(16-22(30)27-4)15-19-5-7-21(26)8-6-19/h5-8,11-13H,9-10,14-16H2,1-4H3,(H,27,30)
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032310
PNG
(CHEMBL3353002)
Show SMILES CCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C24H29ClN2O2/c1-5-26(16-19-6-8-21(25)9-7-19)23(29)24(4)10-11-27(24)22(28)15-20-13-17(2)12-18(3)14-20/h6-9,12-14H,5,10-11,15-16H2,1-4H3
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n/an/a 473n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032334
PNG
(CHEMBL3353541)
Show SMILES C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 483n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against FFA2 receptor in human whole blood assessed as inhibition of sodium acetate-induced CD11b[AE] expression by flow cytometr...


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032377
PNG
(CHEMBL3353531)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H27ClN2O4S/c1-26(11-13-29(26)23(30)15-19-17-34-22-9-3-2-8-21(19)22)25(33)28(12-5-10-24(31)32)16-18-6-4-7-20(27)14-18/h2-4,6-9,14,17H,5,10-13,15-16H2,1H3,(H,31,32)
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n/an/a 500n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032323
PNG
(CHEMBL3353472)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCC(N)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-17-12-18(2)14-20(13-17)15-23(31)29-11-9-25(29,3)24(32)28(10-8-22(27)30)16-19-4-6-21(26)7-5-19/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,27,30)
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032350
PNG
(CHEMBL3353524)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H31F3N2O4/c1-18-13-19(2)15-21(14-18)16-23(33)32-12-10-26(32,3)25(36)31(11-4-5-24(34)35)17-20-6-8-22(9-7-20)27(28,29)30/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H,34,35)
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
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