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PubMed code 28197316

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210151
PNG
(CHEMBL3883449)
Show SMILES COCc1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C30H31FO5/c1-34-17-22-13-21(7-10-24(22)26-15-23(35-2)9-11-27(26)31)28-12-8-19-5-6-20(14-29(19)36-28)25(16-30(32)33)18-3-4-18/h5-7,9-11,13-15,18,25,28H,3-4,8,12,16-17H2,1-2H3,(H,32,33)/t25-,28?/m0/s1
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n/an/an/an/a 4.29E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210159
PNG
(CHEMBL3883532)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C35H37FO4/c1-35(2)16-4-5-30(35)28-17-24(10-13-26(28)29-19-25(39-3)12-14-31(29)36)32-15-11-22-8-9-23(18-33(22)40-32)27(20-34(37)38)21-6-7-21/h5,8-10,12-14,17-19,21,27,32H,4,6-7,11,15-16,20H2,1-3H3,(H,37,38)/t27-,32?/m0/s1
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n/an/an/an/a 58n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210151
PNG
(CHEMBL3883449)
Show SMILES COCc1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C30H31FO5/c1-34-17-22-13-21(7-10-24(22)26-15-23(35-2)9-11-27(26)31)28-12-8-19-5-6-20(14-29(19)36-28)25(16-30(32)33)18-3-4-18/h5-7,9-11,13-15,18,25,28H,3-4,8,12,16-17H2,1-2H3,(H,32,33)/t25-,28?/m0/s1
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n/an/an/an/a 101n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210148
PNG
(CHEMBL3883627)
Show SMILES CO[C@@H](c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C34H39FO5/c1-34(2,3)33(39-5)28-16-23(10-13-25(28)27-18-24(38-4)12-14-29(27)35)30-15-11-21-8-9-22(17-31(21)40-30)26(19-32(36)37)20-6-7-20/h8-10,12-14,16-18,20,26,30,33H,6-7,11,15,19H2,1-5H3,(H,36,37)/t26-,30?,33-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210153
PNG
(CHEMBL3884803)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26-,28-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210158
PNG
(CHEMBL3883380)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26+,28-/m0/s1
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n/an/an/an/a 127n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210150
PNG
(CHEMBL3883354)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26?,28+/m1/s1
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n/an/an/an/a 3.48E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210159
PNG
(CHEMBL3883532)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C35H37FO4/c1-35(2)16-4-5-30(35)28-17-24(10-13-26(28)29-19-25(39-3)12-14-31(29)36)32-15-11-22-8-9-23(18-33(22)40-32)27(20-34(37)38)21-6-7-21/h5,8-10,12-14,17-19,21,27,32H,4,6-7,11,15-16,20H2,1-3H3,(H,37,38)/t27-,32?/m0/s1
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n/an/an/an/a 139n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 1.38E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210159
PNG
(CHEMBL3883532)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C35H37FO4/c1-35(2)16-4-5-30(35)28-17-24(10-13-26(28)29-19-25(39-3)12-14-31(29)36)32-15-11-22-8-9-23(18-33(22)40-32)27(20-34(37)38)21-6-7-21/h5,8-10,12-14,17-19,21,27,32H,4,6-7,11,15-16,20H2,1-3H3,(H,37,38)/t27-,32?/m0/s1
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n/an/an/an/a 90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210160
PNG
(CHEMBL3883983)
Show SMILES CC1(C)CCC=C1c1cccc(c1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H32O3/c1-28(2)14-4-7-24(28)21-5-3-6-22(15-21)25-13-12-19-10-11-20(16-26(19)31-25)23(17-27(29)30)18-8-9-18/h3,5-7,10-11,15-16,18,23,25H,4,8-9,12-14,17H2,1-2H3,(H,29,30)/t23-,25?/m0/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210147
PNG
(CHEMBL3884916)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C#N)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C29H26FNO4/c1-34-22-8-10-26(30)25(14-22)23-9-6-20(12-21(23)16-31)27-11-7-18-4-5-19(13-28(18)35-27)24(15-29(32)33)17-2-3-17/h4-6,8-10,12-14,17,24,27H,2-3,7,11,15H2,1H3,(H,32,33)/t24-,27?/m0/s1
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n/an/an/an/a 296n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210155
PNG
(CHEMBL3883407)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H27FO4/c1-32-22-11-12-25(29)24(15-22)18-4-6-19(7-5-18)26-13-10-20-8-9-21(14-27(20)33-26)23(16-28(30)31)17-2-3-17/h4-9,11-12,14-15,17,23,26H,2-3,10,13,16H2,1H3,(H,30,31)/t23-,26?/m0/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 531n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210156
PNG
(CHEMBL3883355)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210150
PNG
(CHEMBL3883354)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26?,28+/m1/s1
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n/an/an/an/a 92n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210150
PNG
(CHEMBL3883354)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26?,28+/m1/s1
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n/an/an/an/a 56n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 247n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210156
PNG
(CHEMBL3883355)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27+/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210155
PNG
(CHEMBL3883407)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H27FO4/c1-32-22-11-12-25(29)24(15-22)18-4-6-19(7-5-18)26-13-10-20-8-9-21(14-27(20)33-26)23(16-28(30)31)17-2-3-17/h4-9,11-12,14-15,17,23,26H,2-3,10,13,16H2,1H3,(H,30,31)/t23-,26?/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210148
PNG
(CHEMBL3883627)
Show SMILES CO[C@@H](c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C34H39FO5/c1-34(2,3)33(39-5)28-16-23(10-13-25(28)27-18-24(38-4)12-14-29(27)35)30-15-11-21-8-9-22(17-31(21)40-30)26(19-32(36)37)20-6-7-20/h8-10,12-14,16-18,20,26,30,33H,6-7,11,15,19H2,1-5H3,(H,36,37)/t26-,30?,33-/m0/s1
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n/an/an/an/a 7.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210153
PNG
(CHEMBL3884803)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26-,28-/m0/s1
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n/an/an/an/a 146n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210152
PNG
(CHEMBL3884347)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(CCC(O)=O)cc2O1
Show InChI InChI=1S/C32H33FO4/c1-32(2)16-4-5-27(32)25-18-22(9-12-24(25)26-19-23(36-3)11-13-28(26)33)29-14-10-21-8-6-20(7-15-31(34)35)17-30(21)37-29/h5-6,8-9,11-13,17-19,29H,4,7,10,14-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 3.12E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210151
PNG
(CHEMBL3883449)
Show SMILES COCc1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C30H31FO5/c1-34-17-22-13-21(7-10-24(22)26-15-23(35-2)9-11-27(26)31)28-12-8-19-5-6-20(14-29(19)36-28)25(16-30(32)33)18-3-4-18/h5-7,9-11,13-15,18,25,28H,3-4,8,12,16-17H2,1-2H3,(H,32,33)/t25-,28?/m0/s1
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n/an/an/an/a 61n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210156
PNG
(CHEMBL3883355)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210148
PNG
(CHEMBL3883627)
Show SMILES CO[C@@H](c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C34H39FO5/c1-34(2,3)33(39-5)28-16-23(10-13-25(28)27-18-24(38-4)12-14-29(27)35)30-15-11-21-8-9-22(17-31(21)40-30)26(19-32(36)37)20-6-7-20/h8-10,12-14,16-18,20,26,30,33H,6-7,11,15,19H2,1-5H3,(H,36,37)/t26-,30?,33-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210157
PNG
(CHEMBL3883790)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C27H26FNO4/c1-32-20-8-9-23(28)22(13-20)19-6-10-24(29-15-19)25-11-7-17-4-5-18(12-26(17)33-25)21(14-27(30)31)16-2-3-16/h4-6,8-10,12-13,15-16,21,25H,2-3,7,11,14H2,1H3,(H,30,31)/t21-,25?/m0/s1
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n/an/an/an/a 2.53E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210146
PNG
(CHEMBL3883819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210152
PNG
(CHEMBL3884347)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(CCC(O)=O)cc2O1
Show InChI InChI=1S/C32H33FO4/c1-32(2)16-4-5-27(32)25-18-22(9-12-24(25)26-19-23(36-3)11-13-28(26)33)29-14-10-21-8-6-20(7-15-31(34)35)17-30(21)37-29/h5-6,8-9,11-13,17-19,29H,4,7,10,14-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 816n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210154
PNG
(CHEMBL3883504)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1OC(F)(F)F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C29H26F4O5/c1-36-20-8-10-24(30)23(14-20)21-9-6-19(13-27(21)38-29(31,32)33)25-11-7-17-4-5-18(12-26(17)37-25)22(15-28(34)35)16-2-3-16/h4-6,8-10,12-14,16,22,25H,2-3,7,11,15H2,1H3,(H,34,35)/t22-,25?/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210156
PNG
(CHEMBL3883355)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32)/t16-,25?,27+/m1/s1
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n/an/an/an/a 4.04E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 762n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50392863
PNG
(CHEMBL2152069)
Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1
Show InChI InChI=1S/C26H25FO4/c1-30-21-11-12-25(27)24(14-21)19-7-5-17(6-8-19)16-31-22-4-2-3-20(13-22)23(15-26(28)29)18-9-10-18/h2-8,11-14,18,23H,9-10,15-16H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210151
PNG
(CHEMBL3883449)
Show SMILES COCc1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C30H31FO5/c1-34-17-22-13-21(7-10-24(22)26-15-23(35-2)9-11-27(26)31)28-12-8-19-5-6-20(14-29(19)36-28)25(16-30(32)33)18-3-4-18/h5-7,9-11,13-15,18,25,28H,3-4,8,12,16-17H2,1-2H3,(H,32,33)/t25-,28?/m0/s1
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n/an/an/an/a 1.62E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210148
PNG
(CHEMBL3883627)
Show SMILES CO[C@@H](c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C34H39FO5/c1-34(2,3)33(39-5)28-16-23(10-13-25(28)27-18-24(38-4)12-14-29(27)35)30-15-11-21-8-9-22(17-31(21)40-30)26(19-32(36)37)20-6-7-20/h8-10,12-14,16-18,20,26,30,33H,6-7,11,15,19H2,1-5H3,(H,36,37)/t26-,30?,33-/m0/s1
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n/an/an/an/a 7.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210154
PNG
(CHEMBL3883504)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1OC(F)(F)F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C29H26F4O5/c1-36-20-8-10-24(30)23(14-20)21-9-6-19(13-27(21)38-29(31,32)33)25-11-7-17-4-5-18(12-26(17)37-25)22(15-28(34)35)16-2-3-16/h4-6,8-10,12-14,16,22,25H,2-3,7,11,15H2,1H3,(H,34,35)/t22-,25?/m0/s1
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n/an/an/an/a 416n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210147
PNG
(CHEMBL3884916)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C#N)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C29H26FNO4/c1-34-22-8-10-26(30)25(14-22)23-9-6-20(12-21(23)16-31)27-11-7-18-4-5-19(13-28(18)35-27)24(15-29(32)33)17-2-3-17/h4-6,8-10,12-14,17,24,27H,2-3,7,11,15H2,1H3,(H,32,33)/t24-,27?/m0/s1
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n/an/an/an/a 5.45E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210158
PNG
(CHEMBL3883380)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)[C@H]1CCc2ccc(cc2O1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26+,28-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50392863
PNG
(CHEMBL2152069)
Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1
Show InChI InChI=1S/C26H25FO4/c1-30-21-11-12-25(27)24(14-21)19-7-5-17(6-8-19)16-31-22-4-2-3-20(13-22)23(15-26(28)29)18-9-10-18/h2-8,11-14,18,23H,9-10,15-16H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 79n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50392861
PNG
(CHEMBL2152070)
Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C
Show InChI InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1
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n/an/an/an/a 392n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50392861
PNG
(CHEMBL2152070)
Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C
Show InChI InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210157
PNG
(CHEMBL3883790)
Show SMILES COc1ccc(F)c(c1)-c1ccc(nc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C27H26FNO4/c1-32-20-8-9-23(28)22(13-20)19-6-10-24(29-15-19)25-11-7-17-4-5-18(12-26(17)33-25)21(14-27(30)31)16-2-3-16/h4-6,8-10,12-13,15-16,21,25H,2-3,7,11,14H2,1H3,(H,30,31)/t21-,25?/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210155
PNG
(CHEMBL3883407)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H27FO4/c1-32-22-11-12-25(29)24(15-22)18-4-6-19(7-5-18)26-13-10-20-8-9-21(14-27(20)33-26)23(16-28(30)31)17-2-3-17/h4-9,11-12,14-15,17,23,26H,2-3,10,13,16H2,1H3,(H,30,31)/t23-,26?/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210159
PNG
(CHEMBL3883532)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1C1=CCCC1(C)C)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C35H37FO4/c1-35(2)16-4-5-30(35)28-17-24(10-13-26(28)29-19-25(39-3)12-14-31(29)36)32-15-11-22-8-9-23(18-33(22)40-32)27(20-34(37)38)21-6-7-21/h5,8-10,12-14,17-19,21,27,32H,4,6-7,11,15-16,20H2,1-3H3,(H,37,38)/t27-,32?/m0/s1
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n/an/an/an/a 123n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210160
PNG
(CHEMBL3883983)
Show SMILES CC1(C)CCC=C1c1cccc(c1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H32O3/c1-28(2)14-4-7-24(28)21-5-3-6-22(15-21)25-13-12-19-10-11-20(16-26(19)31-25)23(17-27(29)30)18-8-9-18/h3,5-7,10-11,15-16,18,23,25H,4,8-9,12-14,17H2,1-2H3,(H,29,30)/t23-,25?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210155
PNG
(CHEMBL3883407)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C28H27FO4/c1-32-22-11-12-25(29)24(15-22)18-4-6-19(7-5-18)26-13-10-20-8-9-21(14-27(20)33-26)23(16-28(30)31)17-2-3-17/h4-9,11-12,14-15,17,23,26H,2-3,10,13,16H2,1H3,(H,30,31)/t23-,26?/m0/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 154n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210149
PNG
(CHEMBL3884609)
Show SMILES COC(C1CC1)c1cc(ccc1-c1cc(OC)ccc1F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C33H35FO5/c1-37-24-11-13-29(34)27(17-24)25-12-9-23(15-28(25)33(38-2)21-6-7-21)30-14-10-20-5-8-22(16-31(20)39-30)26(18-32(35)36)19-3-4-19/h5,8-9,11-13,15-17,19,21,26,30,33H,3-4,6-7,10,14,18H2,1-2H3,(H,35,36)/t26-,30?,33?/m0/s1
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n/an/an/an/a 1.21E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human...


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50210150
PNG
(CHEMBL3883354)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H]([C@@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C29H29FO4/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32)/t17-,26?,28+/m1/s1
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n/an/an/an/a 4.01E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay


ACS Med Chem Lett 8: 221-226 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00443
BindingDB Entry DOI: 10.7270/Q24T6MCS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%