BindingDB logo
myBDB logout

Patent code US10059667

Compile Data Set for Download or QSAR

Found 216 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))
BDBM270292
PNG
((2S,3R)-3-(3-((3-((2,5-Bis(trifluoromethyl)benzyl)...)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H25F6NO3/c26-24(27,28)18-6-7-21(25(29,30)31)22(11-18)32-9-8-15(13-32)14-35-19-3-1-2-17(10-19)20(12-23(33)34)16-4-5-16/h1-3,6-7,10-11,15-16,20H,4-5,8-9,12-14H2,(H,33,34)/t15?,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.85E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270303
PNG
(US10059667, Example 24)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C26H27F6NO3/c27-25(28,29)19-8-9-23(26(30,31)32)18(11-19)14-33-10-2-5-21(15-33)36-20-4-1-3-17(12-20)22(13-24(34)35)16-6-7-16/h1,3-4,8-9,11-12,16,21-22H,2,5-7,10,13-15H2,(H,34,35)/t21?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 524n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270304
PNG
(US10059667, Example 25)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1S/C26H27F6NO3/c1-15(24(34)35)23(17-5-6-17)18-3-2-4-21(10-18)36-14-16-11-33(12-16)13-19-9-20(25(27,28)29)7-8-22(19)26(30,31)32/h2-4,7-10,15-17,23H,5-6,11-14H2,1H3,(H,34,35)/t15-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.40n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270307
PNG
(US10059667, Example 28)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CCO2)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO4/c1-16(25(35)36)24(17-5-6-17)18-3-2-4-21(12-18)38-15-22-14-34(9-10-37-22)13-19-11-20(26(28,29)30)7-8-23(19)27(31,32)33/h2-4,7-8,11-12,16-17,22,24H,5-6,9-10,13-15H2,1H3,(H,35,36)/t16-,22?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 21n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270279
PNG
((2S,3R)-3-(3-(((S)-1-(2,5-bis(trifluoromethyl)benz...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(O[C@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO3/c1-16(25(35)36)24(17-7-8-17)18-4-2-5-21(13-18)37-22-6-3-11-34(15-22)14-19-12-20(26(28,29)30)9-10-23(19)27(31,32)33/h2,4-5,9-10,12-13,16-17,22,24H,3,6-8,11,14-15H2,1H3,(H,35,36)/t16-,22-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 51n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270312
PNG
(US10059667, Example 33)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO3/c1-16(25(35)36)24(18-5-6-18)19-3-2-4-22(12-19)37-15-17-9-10-34(13-17)14-20-11-21(26(28,29)30)7-8-23(20)27(31,32)33/h2-4,7-8,11-12,16-18,24H,5-6,9-10,13-15H2,1H3,(H,35,36)/t16-,17-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 158n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270325
PNG
(US10059667, Example 46)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C27H29F6NO3/c28-26(29,30)21-8-9-24(27(31,32)33)20(11-21)15-34-10-2-3-17(14-34)16-37-22-5-1-4-19(12-22)23(13-25(35)36)18-6-7-18/h1,4-5,8-9,11-12,17-18,23H,2-3,6-7,10,13-16H2,(H,35,36)/t17?,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.46E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270328
PNG
(US10059667, Example 49)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C25H25F6NO3/c26-24(27,28)19-6-7-22(25(29,30)31)18(8-19)13-32-11-15(12-32)14-35-20-3-1-2-17(9-20)21(10-23(33)34)16-4-5-16/h1-3,6-9,15-16,21H,4-5,10-14H2,(H,33,34)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 8.30n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270334
PNG
(US10059667, Example 55)
Show SMILES CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3NO3/c1-16(21-7-2-3-8-23(21)25(26,27)28)29-13-17(14-29)15-32-20-6-4-5-19(11-20)22(12-24(30)31)18-9-10-18/h2-8,11,16-18,22H,9-10,12-15H2,1H3,(H,30,31)/t16?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 7.30n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270338
PNG
(US10059667, Example 59)
Show SMILES CC(N1CC(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)C1)c1cc(ccc1C)C(F)(F)F
Show InChI InChI=1S/C26H30F3NO3/c1-16-6-9-21(26(27,28)29)11-23(16)17(2)30-13-18(14-30)15-33-22-5-3-4-20(10-22)24(12-25(31)32)19-7-8-19/h3-6,9-11,17-19,24H,7-8,12-15H2,1-2H3,(H,31,32)/t17?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 439n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270346
PNG
(US10059667, Example 67)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC2Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-16(24(25)26)23(18-10-11-18)19-8-5-9-22(14-19)27-15-21-13-20(21)12-17-6-3-2-4-7-17/h2-9,14,16,18,20-21,23H,10-13,15H2,1H3,(H,25,26)/t16-,20?,21?,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 408n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270351
PNG
(US10059667, Example 72)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-16(24(25)26)23(19-10-11-19)20-8-5-9-22(14-20)27-15-17-12-21(13-17)18-6-3-2-4-7-18/h2-9,14,16-17,19,21,23H,10-13,15H2,1H3,(H,25,26)/t16-,17?,21?,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 201n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270364
PNG
(US10059667, Example 85)
Show SMILES COc1cccc(c1)C1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1
Show InChI InChI=1S/C25H30O4/c1-16(25(26)27)24(18-9-10-18)20-6-4-8-23(14-20)29-15-17-11-21(12-17)19-5-3-7-22(13-19)28-2/h3-8,13-14,16-18,21,24H,9-12,15H2,1-2H3,(H,26,27)/t16-,17?,21?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 35n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270368
PNG
(US10059667, Example 89)
Show SMILES COc1cc(ccn1)C1CC(COc2cccc(c2)[C@H]([C@H](C)C(O)=O)C2CC2)C1
Show InChI InChI=1S/C24H29NO4/c1-15(24(26)27)23(17-6-7-17)19-4-3-5-21(12-19)29-14-16-10-20(11-16)18-8-9-25-22(13-18)28-2/h3-5,8-9,12-13,15-17,20,23H,6-7,10-11,14H2,1-2H3,(H,26,27)/t15-,16?,20?,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 61n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270374
PNG
(US10059667, Example 95)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccc(OC(F)F)nc2)c1)C(O)=O
Show InChI InChI=1S/C24H27F2NO5/c1-14(23(28)29)22(16-5-6-16)17-3-2-4-18(11-17)30-13-15-9-20(10-15)31-19-7-8-21(27-12-19)32-24(25)26/h2-4,7-8,11-12,14-16,20,22,24H,5-6,9-10,13H2,1H3,(H,28,29)/t14-,15?,20?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.39E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270376
PNG
(US10059667, Example 97)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2cc(C)nn2C)c1)C(O)=O
Show InChI InChI=1S/C23H30N2O4/c1-14-9-21(25(3)24-14)29-20-10-16(11-20)13-28-19-6-4-5-18(12-19)22(17-7-8-17)15(2)23(26)27/h4-6,9,12,15-17,20,22H,7-8,10-11,13H2,1-3H3,(H,26,27)/t15-,16?,20?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 7.24E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270385
PNG
(US10059667, Example 106)
Show SMILES COc1cc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)c(F)cn1
Show InChI InChI=1S/C24H28FNO5/c1-14(24(27)28)23(16-6-7-16)17-4-3-5-18(10-17)30-13-15-8-19(9-15)31-21-11-22(29-2)26-12-20(21)25/h3-5,10-12,14-16,19,23H,6-9,13H2,1-2H3,(H,27,28)/t14-,15?,19?,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 54n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270386
PNG
(US10059667, Example 107 | US10059667, Example 108)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccc3C(=O)OCc3c2)c1)C(O)=O
Show InChI InChI=1S/C26H28O6/c1-15(25(27)28)24(17-5-6-17)18-3-2-4-20(11-18)30-13-16-9-22(10-16)32-21-7-8-23-19(12-21)14-31-26(23)29/h2-4,7-8,11-12,15-17,22,24H,5-6,9-10,13-14H2,1H3,(H,27,28)/t15-,16?,22?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.97E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270416
PNG
(US10059667, Example 137)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cccc(OC(F)(F)F)c2)c1)C(O)=O
Show InChI InChI=1S/C24H25F3O4/c1-14(23(28)29)22(15-8-9-15)17-5-3-6-19(11-17)30-13-18-12-21(18)16-4-2-7-20(10-16)31-24(25,26)27/h2-7,10-11,14-15,18,21-22H,8-9,12-13H2,1H3,(H,28,29)/t14-,18+,21+,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 176n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270293
PNG
(US10059667, Example 14)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)NCc2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO3/c1-15(25(35)36)24(17-5-6-17)18-3-2-4-22(12-18)37-14-16-9-21(10-16)34-13-19-11-20(26(28,29)30)7-8-23(19)27(31,32)33/h2-4,7-8,11-12,15-17,21,24,34H,5-6,9-10,13-14H2,1H3,(H,35,36)/t15-,16?,21?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 956n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270296
PNG
(US10059667, Example 17)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2(F)CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C26H26F7NO3/c27-24(15-37-20-3-1-2-17(11-20)21(12-23(35)36)16-4-5-16)8-9-34(14-24)13-18-10-19(25(28,29)30)6-7-22(18)26(31,32)33/h1-3,6-7,10-11,16,21H,4-5,8-9,12-15H2,(H,35,36)/t21-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 2.53E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270279
PNG
((2S,3R)-3-(3-(((S)-1-(2,5-bis(trifluoromethyl)benz...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(O[C@H]2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1S/C27H29F6NO3/c1-16(25(35)36)24(17-7-8-17)18-4-2-5-21(13-18)37-22-6-3-11-34(15-22)14-19-12-20(26(28,29)30)9-10-23(19)27(31,32)33/h2,4-5,9-10,12-13,16-17,22,24H,3,6-8,11,14-15H2,1H3,(H,35,36)/t16-,22-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 711n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270309
PNG
(US10059667, Example 30)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cccc(n2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C23H25F3N2O3/c1-14(22(29)30)21(16-8-9-16)17-4-2-5-18(10-17)31-13-15-11-28(12-15)20-7-3-6-19(27-20)23(24,25)26/h2-7,10,14-16,21H,8-9,11-13H2,1H3,(H,29,30)/t14-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 33n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270316
PNG
(US10059667, Example 37)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CCN(CC2)c2cccc(n2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C25H29F3N2O3/c1-16(24(31)32)23(18-8-9-18)19-4-2-5-20(14-19)33-15-17-10-12-30(13-11-17)22-7-3-6-21(29-22)25(26,27)28/h2-7,14,16-18,23H,8-13,15H2,1H3,(H,31,32)/t16-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 177n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270321
PNG
(US10059667, Example 42)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)C2)c1
Show InChI InChI=1S/C24H25ClF3NO3/c25-22-7-6-18(24(26,27)28)10-17(22)13-29-9-8-20(14-29)32-19-3-1-2-16(11-19)21(12-23(30)31)15-4-5-15/h1-3,6-7,10-11,15,20-21H,4-5,8-9,12-14H2,(H,30,31)/t20?,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.13E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270322
PNG
(US10059667, Example 43)
Show SMILES CC1(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C27H29F6NO3/c1-25(16-37-21-4-2-3-18(12-21)22(13-24(35)36)17-5-6-17)9-10-34(15-25)14-19-11-20(26(28,29)30)7-8-23(19)27(31,32)33/h2-4,7-8,11-12,17,22H,5-6,9-10,13-16H2,1H3,(H,35,36)/t22-,25?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 952n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270323
PNG
(US10059667, Example 44)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C27H29F6NO3/c28-26(29,30)21-6-7-24(27(31,32)33)20(12-21)15-34-10-8-17(9-11-34)16-37-22-3-1-2-19(13-22)23(14-25(35)36)18-4-5-18/h1-3,6-7,12-13,17-18,23H,4-5,8-11,14-16H2,(H,35,36)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 13n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270324
PNG
(US10059667, Example 45)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cccc(c3)C(F)(F)F)C2)c1
Show InChI InChI=1S/C24H26F3NO3/c25-24(26,27)19-5-1-3-16(11-19)14-28-10-9-21(15-28)31-20-6-2-4-18(12-20)22(13-23(29)30)17-7-8-17/h1-6,11-12,17,21-22H,7-10,13-15H2,(H,29,30)/t21?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 387n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270325
PNG
(US10059667, Example 46)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C27H29F6NO3/c28-26(29,30)21-8-9-24(27(31,32)33)20(11-21)15-34-10-2-3-17(14-34)16-37-22-5-1-4-19(12-22)23(13-25(35)36)18-6-7-18/h1,4-5,8-9,11-12,17-18,23H,2-3,6-7,10,13-16H2,(H,35,36)/t17?,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 108n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270327
PNG
(US10059667, Example 48)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OC2CCN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C26H27F6NO3/c27-25(28,29)19-6-7-23(26(30,31)32)18(12-19)15-33-10-8-20(9-11-33)36-21-3-1-2-17(13-21)22(14-24(34)35)16-4-5-16/h1-3,6-7,12-13,16,20,22H,4-5,8-11,14-15H2,(H,34,35)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 142n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270332
PNG
(US10059667, Example 53)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CN(Cc3c(F)cccc3C(F)(F)F)C2)c1
Show InChI InChI=1S/C24H25F4NO3/c25-22-6-2-5-21(24(26,27)28)20(22)13-29-11-15(12-29)14-32-18-4-1-3-17(9-18)19(10-23(30)31)16-7-8-16/h1-6,9,15-16,19H,7-8,10-14H2,(H,30,31)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 4.57E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270342
PNG
(US10059667, Example 63)
Show SMILES COc1cccc(c1)C1CC1COc1cccc(c1)[C@H](CC(O)=O)C1CC1
Show InChI InChI=1S/C23H26O4/c1-26-19-6-2-4-16(10-19)21-12-18(21)14-27-20-7-3-5-17(11-20)22(13-23(24)25)15-8-9-15/h2-7,10-11,15,18,21-22H,8-9,12-14H2,1H3,(H,24,25)/t18?,21?,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 15n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270354
PNG
(US10059667, Example 75)
Show SMILES COc1ccc(F)c(c1)[C@@H]1C[C@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C24H27FO4/c1-14(24(26)27)23(15-6-7-15)16-4-3-5-19(10-16)29-13-17-11-20(17)21-12-18(28-2)8-9-22(21)25/h3-5,8-10,12,14-15,17,20,23H,6-7,11,13H2,1-2H3,(H,26,27)/t14-,17-,20+,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 34n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270375
PNG
(US10059667, Example 96)
Show SMILES COc1ncc(OC2CC(COc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)C2)cn1
Show InChI InChI=1S/C23H28N2O5/c1-14(22(26)27)21(16-6-7-16)17-4-3-5-18(10-17)29-13-15-8-19(9-15)30-20-11-24-23(28-2)25-12-20/h3-5,10-12,14-16,19,21H,6-9,13H2,1-2H3,(H,26,27)/t14-,15?,19?,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 8.23E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270377
PNG
(US10059667, Example 98 | US10059667, Example 99)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccn[nH]2)c1)C(O)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 2.67E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270390
PNG
(US10059667, Example 111)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccnc3OCCOc23)c1)C(O)=O
Show InChI InChI=1S/C25H29NO6/c1-15(25(27)28)22(17-5-6-17)18-3-2-4-19(13-18)31-14-16-11-20(12-16)32-21-7-8-26-24-23(21)29-9-10-30-24/h2-4,7-8,13,15-17,20,22H,5-6,9-12,14H2,1H3,(H,27,28)/t15-,16?,20?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 3.10E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270405
PNG
(US10059667, Example 126 | US10059667, Example 127)
Show SMILES CC(C)Oc1ccccc1OC1CC(COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)C1
Show InChI InChI=1S/C27H34O5/c1-17(2)31-24-9-4-5-10-25(24)32-23-13-19(14-23)16-30-22-8-6-7-21(15-22)26(20-11-12-20)18(3)27(28)29/h4-10,15,17-20,23,26H,11-14,16H2,1-3H3,(H,28,29)/t18-,19?,23?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 182n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270411
PNG
(US10059667, Example 132)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CC(C2)Oc2ccccc2-c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C30H32O4/c1-20(30(31)32)29(23-14-15-23)24-10-7-11-25(18-24)33-19-21-16-26(17-21)34-28-13-6-5-12-27(28)22-8-3-2-4-9-22/h2-13,18,20-21,23,26,29H,14-17,19H2,1H3,(H,31,32)/t20-,21?,26?,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 150n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270417
PNG
(US10059667, Example 138)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cccc(OC3CC3)c2)c1)C(O)=O
Show InChI InChI=1S/C26H30O4/c1-16(26(27)28)25(17-8-9-17)19-5-3-6-22(13-19)29-15-20-14-24(20)18-4-2-7-23(12-18)30-21-10-11-21/h2-7,12-13,16-17,20-21,24-25H,8-11,14-15H2,1H3,(H,27,28)/t16-,20+,24+,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 74n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270421
PNG
(US10059667, Example 142)
Show SMILES COc1ccc(F)c([C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c1F
Show InChI InChI=1S/C24H26F2O4/c1-13(24(27)28)21(14-6-7-14)15-4-3-5-17(10-15)30-12-16-11-18(16)22-19(25)8-9-20(29-2)23(22)26/h3-5,8-10,13-14,16,18,21H,6-7,11-12H2,1-2H3,(H,27,28)/t13-,16+,18-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 78n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270422
PNG
(US10059667, Example 143)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OC[C@H]2C[C@@H]2c2cc(ccc2Cl)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C24H24ClF3O3/c1-13(23(29)30)22(14-5-6-14)15-3-2-4-18(9-15)31-12-16-10-19(16)20-11-17(24(26,27)28)7-8-21(20)25/h2-4,7-9,11,13-14,16,19,22H,5-6,10,12H2,1H3,(H,29,30)/t13-,16+,19-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 175n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270427
PNG
(US10059667, Example 148)
Show SMILES COc1ccc(cn1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C23H27NO4/c1-14(23(25)26)22(15-6-7-15)16-4-3-5-19(10-16)28-13-18-11-20(18)17-8-9-21(27-2)24-12-17/h3-5,8-10,12,14-15,18,20,22H,6-7,11,13H2,1-2H3,(H,25,26)/t14-,18+,20+,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 1.16E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270429
PNG
(US10059667, Example 150)
Show SMILES COc1cncc(c1)[C@H]1C[C@@H]1COc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show InChI InChI=1S/C23H27NO4/c1-14(23(25)26)22(15-6-7-15)16-4-3-5-19(8-16)28-13-18-10-21(18)17-9-20(27-2)12-24-11-17/h3-5,8-9,11-12,14-15,18,21-22H,6-7,10,13H2,1-2H3,(H,25,26)/t14-,18+,21+,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 4.47E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270433
PNG
(US10059667, Example 154)
Show SMILES COc1ccc([C@H]2C[C@@H]2COc2cccc(c2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1
Show InChI InChI=1S/C24H27FO4/c1-14(24(26)27)23(15-6-7-15)16-4-3-5-19(10-16)29-13-17-11-21(17)20-9-8-18(28-2)12-22(20)25/h3-5,8-10,12,14-15,17,21,23H,6-7,11,13H2,1-2H3,(H,26,27)/t14-,17+,21-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 544n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270282
PNG
((2S,3R)-3-(3-((1-(2,5-Bis(trifluoromethyl)phenyl)a...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C25H25F6NO3/c1-14(23(33)34)22(16-5-6-16)17-3-2-4-19(9-17)35-13-15-11-32(12-15)21-10-18(24(26,27)28)7-8-20(21)25(29,30)31/h2-4,7-10,14-16,22H,5-6,11-13H2,1H3,(H,33,34)/t14-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 485n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270284
PNG
((S)-3-(3-((6-(2,5-bis(trifluoromethyl)benzyl)-6-az...)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(O[C@H]2CC3(C2)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C3)c1
Show InChI InChI=1S/C28H29F6NO3/c29-27(30,31)20-6-7-24(28(32,33)34)19(10-20)15-35-9-8-26(16-35)13-22(14-26)38-21-3-1-2-18(11-21)23(12-25(36)37)17-4-5-17/h1-3,6-7,10-11,17,22-23H,4-5,8-9,12-16H2,(H,36,37)/t22-,23-,26?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 113n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270285
PNG
((S)-3-(3-((1-(2,5-Bis(trifluoromethyl)benzyl)-3-me...)
Show SMILES CC1(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C26H27F6NO3/c1-24(15-36-20-4-2-3-17(10-20)21(11-23(34)35)16-5-6-16)13-33(14-24)12-18-9-19(25(27,28)29)7-8-22(18)26(30,31)32/h2-4,7-10,16,21H,5-6,11-15H2,1H3,(H,34,35)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 2.73E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270288
PNG
(US10059667, Example 9)
Show SMILES CC(Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1)C1CN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C27H29F6NO3/c1-15(25(35)36)24(17-6-7-17)18-4-3-5-22(11-18)37-16(2)20-13-34(14-20)12-19-10-21(26(28,29)30)8-9-23(19)27(31,32)33/h3-5,8-11,15-17,20,24H,6-7,12-14H2,1-2H3,(H,35,36)/t15-,16?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270289
PNG
(US10059667, Example 10)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2(F)CN(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)C2)c1)C(O)=O
Show InChI InChI=1S/C26H26F7NO3/c1-15(23(35)36)22(16-5-6-16)17-3-2-4-20(10-17)37-14-24(27)12-34(13-24)11-18-9-19(25(28,29)30)7-8-21(18)26(31,32)33/h2-4,7-10,15-16,22H,5-6,11-14H2,1H3,(H,35,36)/t15-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 0.900n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM270295
PNG
(US10059667, Example 16)
Show SMILES C[C@@H]([C@@H](C1CC1)c1cccc(OCC2CN(C2)c2cc(ccn2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C23H25F3N2O3/c1-14(22(29)30)21(16-5-6-16)17-3-2-4-19(9-17)31-13-15-11-28(12-15)20-10-18(7-8-27-20)23(24,25)26/h2-4,7-10,14-16,21H,5-6,11-13H2,1H3,(H,29,30)/t14-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 631n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%