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Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2955   
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 4


(Homo sapiens (Human))
BDBM384288
PNG
(Trans-2-(((2′-fluoro-5′-isopropoxy-[1,...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384291
PNG
((METHOD A) | US9938222, Example 2)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)/t14-,18+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384292
PNG
((METHOD A) | US9938222, Example 3)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OC[C@@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384295
PNG
(Cis-2-(((2′-fluoro-5′-phenoxy-[1,1R...)
Show SMILES OC(=O)[C@@H]1C[C@@H]1COc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H19FO4/c24-22-11-10-19(28-18-4-2-1-3-5-18)13-20(22)15-6-8-17(9-7-15)27-14-16-12-21(16)23(25)26/h1-11,13,16,21H,12,14H2,(H,25,26)/t16-,21-/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384295
PNG
(Cis-2-(((2′-fluoro-5′-phenoxy-[1,1R...)
Show SMILES OC(=O)[C@@H]1C[C@@H]1COc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H19FO4/c24-22-11-10-19(28-18-4-2-1-3-5-18)13-20(22)15-6-8-17(9-7-15)27-14-16-12-21(16)23(25)26/h1-11,13,16,21H,12,14H2,(H,25,26)/t16-,21-/m1/s1
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n/an/an/an/a 2.11E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384300
PNG
((1R,2S)-Methyl 2-((4-bromophenoxy)methyl)cycloprop...)
Show SMILES OC(=O)[C@H]1C[C@H]1COc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H19FO4/c24-22-11-10-19(28-18-4-2-1-3-5-18)13-20(22)15-6-8-17(9-7-15)27-14-16-12-21(16)23(25)26/h1-11,13,16,21H,12,14H2,(H,25,26)/t16-,21-/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384301
PNG
((1R,2S)-2-(((2′-Fluoro-5′-isopropoxy-[...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OC[C@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)/t14-,18-/m1/s1
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n/an/an/an/a 2.81E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384302
PNG
((1S,2R)-2-(((2′-Fluoro-5′-isopropoxy-[...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OC[C@@H]2C[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)/t14-,18-/m0/s1
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n/an/an/an/a 2.86E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384305
PNG
((Trans)-(+/−)-2-(((2′,3-difluoro-5R...)
Show SMILES OC(=O)[C@H]1C[C@@H]1COc1ccc(cc1F)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H18F2O4/c24-20-8-7-17(29-16-4-2-1-3-5-16)12-18(20)14-6-9-22(21(25)11-14)28-13-15-10-19(15)23(26)27/h1-9,11-12,15,19H,10,13H2,(H,26,27)/t15-,19+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384313
PNG
((1R,2R)-2-(((2′,3-Difluoro-5′-phenoxy-...)
Show SMILES OC(=O)[C@@H]1C[C@H]1COc1ccc(cc1F)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H18F2O4/c24-20-8-7-17(29-16-4-2-1-3-5-16)12-18(20)14-6-9-22(21(25)11-14)28-13-15-10-19(15)23(26)27/h1-9,11-12,15,19H,10,13H2,(H,26,27)/t15-,19+/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384305
PNG
((Trans)-(+/−)-2-(((2′,3-difluoro-5R...)
Show SMILES OC(=O)[C@H]1C[C@@H]1COc1ccc(cc1F)-c1cc(Oc2ccccc2)ccc1F |r|
Show InChI InChI=1S/C23H18F2O4/c24-20-8-7-17(29-16-4-2-1-3-5-16)12-18(20)14-6-9-22(21(25)11-14)28-13-15-10-19(15)23(26)27/h1-9,11-12,15,19H,10,13H2,(H,26,27)/t15-,19+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384320
PNG
(Trans-2-(((3′-chloro-3-fluoro-5′-isopr...)
Show SMILES CC(C)Oc1cc(Cl)cc(c1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-16-6-13(5-15(21)9-16)12-3-4-19(18(22)8-12)25-10-14-7-17(14)20(23)24/h3-6,8-9,11,14,17H,7,10H2,1-2H3,(H,23,24)/t14-,17+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384322
PNG
((1R,2R)-2-(((3′-Chloro-3-fluoro-5′-iso...)
Show SMILES CC(C)Oc1cc(Cl)cc(c1)-c1ccc(OC[C@@H]2C[C@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-16-6-13(5-15(21)9-16)12-3-4-19(18(22)8-12)25-10-14-7-17(14)20(23)24/h3-6,8-9,11,14,17H,7,10H2,1-2H3,(H,23,24)/t14-,17+/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384320
PNG
(Trans-2-(((3′-chloro-3-fluoro-5′-isopr...)
Show SMILES CC(C)Oc1cc(Cl)cc(c1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-16-6-13(5-15(21)9-16)12-3-4-19(18(22)8-12)25-10-14-7-17(14)20(23)24/h3-6,8-9,11,14,17H,7,10H2,1-2H3,(H,23,24)/t14-,17+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384301
PNG
((1R,2S)-2-(((2′-Fluoro-5′-isopropoxy-[...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OC[C@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-16-7-8-19(21)17(10-16)13-3-5-15(6-4-13)24-11-14-9-18(14)20(22)23/h3-8,10,12,14,18H,9,11H2,1-2H3,(H,22,23)/t14-,18-/m1/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384338
PNG
((1R,2S)-2-(2-(2′-Fluoro-5′-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-17-9-10-20(22)18(12-17)15-6-3-14(4-7-15)5-8-16-11-19(16)21(23)24/h3-4,6-7,9-10,12-13,16,19H,5,8,11H2,1-2H3,(H,23,24)/t16-,19+/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384340
PNG
((1S,2R)-2-(2-(2′-Fluoro-5′-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@@H]2C[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-17-9-10-20(22)18(12-17)15-6-3-14(4-7-15)5-8-16-11-19(16)21(23)24/h3-4,6-7,9-10,12-13,16,19H,5,8,11H2,1-2H3,(H,23,24)/t16-,19+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384345
PNG
(Trans-2-(((2′-chloro-3-fluoro-5′-isopr...)
Show SMILES CC(C)Oc1ccc(Cl)c(c1)-c1ccc(OCC2CC2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-14-4-5-17(21)15(9-14)12-3-6-19(18(22)8-12)25-10-13-7-16(13)20(23)24/h3-6,8-9,11,13,16H,7,10H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384348
PNG
(Trans-2-((4-(6-fluoro-2,2-dimethyl-2,3-dihydrobenz...)
Show SMILES CC1(C)Cc2c(O1)cc(F)cc2-c1ccc(OCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H21FO4/c1-21(2)10-18-16(8-14(22)9-19(18)26-21)12-3-5-15(6-4-12)25-11-13-7-17(13)20(23)24/h3-6,8-9,13,17H,7,10-11H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384353
PNG
(2-((4-(5-Fluoro-2,2-dimethyl-2,3-dihydrobenzofuran...)
Show SMILES CC1(C)Cc2c(O1)ccc(F)c2-c1ccc(OCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H21FO4/c1-21(2)10-16-18(26-21)8-7-17(22)19(16)12-3-5-14(6-4-12)25-11-13-9-15(13)20(23)24/h3-8,13,15H,9-11H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.25E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384354
PNG
(Trans-2-(((3′-fluoro-5′-phenoxy-[1,1&#...)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(F)cc(Oc2ccccc2)c1
Show InChI InChI=1S/C23H19FO4/c24-18-10-16(11-21(13-18)28-20-4-2-1-3-5-20)15-6-8-19(9-7-15)27-14-17-12-22(17)23(25)26/h1-11,13,17,22H,12,14H2,(H,25,26)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385605
PNG
(Trans-2-(((2′-fluoro-5′-isopropoxy-[1,...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(COCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)18(10-17)15-5-3-14(4-6-15)11-25-12-16-9-19(16)21(23)24/h3-8,10,13,16,19H,9,11-12H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385612
PNG
(Trans-2-(((2′-fluoro-5′-phenoxy-[1,1&#...)
Show SMILES OC(=O)C1CC1COCc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1F
Show InChI InChI=1S/C24H21FO4/c25-23-11-10-20(29-19-4-2-1-3-5-19)13-21(23)17-8-6-16(7-9-17)14-28-15-18-12-22(18)24(26)27/h1-11,13,18,22H,12,14-15H2,(H,26,27)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385613
PNG
((1R,2R)-2-(4-(5-Chloro-2,2-dimethyl-2,3-dihydroben...)
Show SMILES CC1(C)Cc2cc(Cl)cc(c2O1)-c1ccc(CC[C@@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H23ClO3/c1-22(2)12-16-9-17(23)11-18(20(16)26-22)14-6-3-13(4-7-14)5-8-15-10-19(15)21(24)25/h3-4,6-7,9,11,15,19H,5,8,10,12H2,1-2H3,(H,24,25)/t15-,19-/m1/s1
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n/an/an/an/a 1.72E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385615
PNG
(Trans-2-(4-(2-methyl-4-phenylthiazol-5-yl)phenethy...)
Show SMILES Cc1nc(c(s1)-c1ccc(CC[C@@H]2C[C@H]2C(O)=O)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21NO2S/c1-14-23-20(16-5-3-2-4-6-16)21(26-14)17-10-7-15(8-11-17)9-12-18-13-19(18)22(24)25/h2-8,10-11,18-19H,9,12-13H2,1H3,(H,24,25)/t18-,19-/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385620
PNG
(Trans-2-(2-(2′-fluoro-5′-isopropoxy-[1...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-17-9-10-20(22)18(12-17)15-6-3-14(4-7-15)5-8-16-11-19(16)21(23)24/h3-4,6-7,9-10,12-13,16,19H,5,8,11H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385692
PNG
((1R,2R)-2-(2-(2′-fluoro-5′-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@@H]2C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-17-9-10-20(22)18(12-17)15-6-3-14(4-7-15)5-8-16-11-19(16)21(23)24/h3-4,6-7,9-10,12-13,16,19H,5,8,11H2,1-2H3,(H,23,24)/t16-,19-/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385695
PNG
((1S,2S)-2-(2-(2′-fluoro-5′-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@H]2C[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-17-9-10-20(22)18(12-17)15-6-3-14(4-7-15)5-8-16-11-19(16)21(23)24/h3-4,6-7,9-10,12-13,16,19H,5,8,11H2,1-2H3,(H,23,24)/t16-,19-/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385715
PNG
(Trans-2-(2-((2′-fluoro-5′-isopropoxy-[...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC2CC2CC(O)=O)cc1
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385715
PNG
(Trans-2-(2-((2′-fluoro-5′-isopropoxy-[...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC2CC2CC(O)=O)cc1
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385744
PNG
(Trans-(2-((2′-fluoro-5′-isopropoxy-[1,...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(C[C@@H]2C[C@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)/t16-,17+/m1/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385807
PNG
(Trans-(2-((2′-fluoro-5′-isopropoxy-[1,...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(C[C@H]2C[C@@H]2CC(O)=O)cc1 |r|
Show InChI InChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385822
PNG
(Trans-2-((2′-fluoro-5′-isopropoxy-[1,1...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(COC2CC2C(O)=O)cc1
Show InChI InChI=1S/C20H21FO4/c1-12(2)25-15-7-8-18(21)16(9-15)14-5-3-13(4-6-14)11-24-19-10-17(19)20(22)23/h3-9,12,17,19H,10-11H2,1-2H3,(H,22,23)
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n/an/an/an/a 2.65E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385824
PNG
(Trans-2-(2-(3′-(ethylthio)-[1,1′-biphe...)
Show SMILES CCSc1cccc(c1)-c1ccc(CCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C20H22O2S/c1-2-23-18-5-3-4-16(12-18)15-9-6-14(7-10-15)8-11-17-13-19(17)20(21)22/h3-7,9-10,12,17,19H,2,8,11,13H2,1H3,(H,21,22)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385825
PNG
(Cis-2-fluoro-2-(2-(2′-fluoro-5′-isopro...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@]2(F)C[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H22F2O3/c1-13(2)26-16-7-8-19(22)17(11-16)15-5-3-14(4-6-15)9-10-21(23)12-18(21)20(24)25/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,24,25)/t18-,21-/m0/s1
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n/an/an/an/a 2.02E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM385829
PNG
(Trans-2-fluoro-2-(2-(2′-fluoro-5′-isop...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@]2(F)C[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H22F2O3/c1-13(2)26-16-7-8-19(22)17(11-16)15-5-3-14(4-6-15)9-10-21(23)12-18(21)20(24)25/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,24,25)/t18-,21+/m1/s1
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n/an/an/an/a 5.09E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386912
PNG
(Trans-2-(2-(2′-fluoro-5′-isopropoxy-[1...)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(CC[C@H]2C[C@]2(C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H25FO3/c1-14(2)26-18-10-11-20(23)19(12-18)16-7-4-15(5-8-16)6-9-17-13-22(17,3)21(24)25/h4-5,7-8,10-12,14,17H,6,9,13H2,1-3H3,(H,24,25)/t17-,22-/m0/s1
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386913
PNG
(US9938222, Example 42)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(Oc2cccc(F)c2)ccc1F
Show InChI InChI=1S/C23H18F2O4/c24-16-2-1-3-18(11-16)29-19-8-9-22(25)20(12-19)14-4-6-17(7-5-14)28-13-15-10-21(15)23(26)27/h1-9,11-12,15,21H,10,13H2,(H,26,27)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386914
PNG
(US9938222, Example 43)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(Oc2cc(F)cc(F)c2)ccc1F
Show InChI InChI=1S/C23H17F3O4/c24-15-8-16(25)10-19(9-15)30-18-5-6-22(26)20(11-18)13-1-3-17(4-2-13)29-12-14-7-21(14)23(27)28/h1-6,8-11,14,21H,7,12H2,(H,27,28)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386915
PNG
(US9938222, Example 44)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(Oc2ccc(F)cc2)ccc1F
Show InChI InChI=1S/C23H18F2O4/c24-16-3-7-18(8-4-16)29-19-9-10-22(25)20(12-19)14-1-5-17(6-2-14)28-13-15-11-21(15)23(26)27/h1-10,12,15,21H,11,13H2,(H,26,27)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386916
PNG
(US9938222, Example 45)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OCC2CC2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-14-4-5-18(22)15(9-14)12-3-6-19(17(21)8-12)25-10-13-7-16(13)20(23)24/h3-6,8-9,11,13,16H,7,10H2,1-2H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386917
PNG
(US9938222, Example 46)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(OCC2CC2C(O)=O)c(C)c1
Show InChI InChI=1S/C21H23FO4/c1-12(2)26-16-5-6-19(22)17(10-16)14-4-7-20(13(3)8-14)25-11-15-9-18(15)21(23)24/h4-8,10,12,15,18H,9,11H2,1-3H3,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386918
PNG
(US9938222, Example 47)
Show SMILES CC(C)Oc1cc(cc(c1)C(F)(F)F)-c1ccc(OCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H21F3O4/c1-12(2)28-18-8-14(7-16(10-18)21(22,23)24)13-3-5-17(6-4-13)27-11-15-9-19(15)20(25)26/h3-8,10,12,15,19H,9,11H2,1-2H3,(H,25,26)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386919
PNG
(US9938222, Example 48)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(Cl)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C18H14ClF3O4/c19-13-5-11(6-15(8-13)26-18(20,21)22)10-1-3-14(4-2-10)25-9-12-7-16(12)17(23)24/h1-6,8,12,16H,7,9H2,(H,23,24)
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n/an/an/an/a 760n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386920
PNG
(US9938222, Example 49)
Show SMILES CC(C)Oc1cc(c(F)c(c1)C(F)(F)F)-c1ccc(OCC2CC2C(O)=O)cc1
Show InChI InChI=1S/C21H20F4O4/c1-11(2)29-15-8-16(19(22)18(9-15)21(23,24)25)12-3-5-14(6-4-12)28-10-13-7-17(13)20(26)27/h3-6,8-9,11,13,17H,7,10H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.67E+3n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386921
PNG
(US9938222, Example 50)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(OC2CCCC2)ccc1F
Show InChI InChI=1S/C22H23FO4/c23-21-10-9-18(27-17-3-1-2-4-17)12-19(21)14-5-7-16(8-6-14)26-13-15-11-20(15)22(24)25/h5-10,12,15,17,20H,1-4,11,13H2,(H,24,25)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386922
PNG
(US9938222, Example 51 | US9938222, Example 52 | US...)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C18H14F4O4/c19-16-6-5-13(26-18(20,21)22)8-14(16)10-1-3-12(4-2-10)25-9-11-7-15(11)17(23)24/h1-6,8,11,15H,7,9H2,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386922
PNG
(US9938222, Example 51 | US9938222, Example 52 | US...)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C18H14F4O4/c19-16-6-5-13(26-18(20,21)22)8-14(16)10-1-3-12(4-2-10)25-9-11-7-15(11)17(23)24/h1-6,8,11,15H,7,9H2,(H,23,24)
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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386922
PNG
(US9938222, Example 51 | US9938222, Example 52 | US...)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C18H14F4O4/c19-16-6-5-13(26-18(20,21)22)8-14(16)10-1-3-12(4-2-10)25-9-11-7-15(11)17(23)24/h1-6,8,11,15H,7,9H2,(H,23,24)
PDB

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Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM386925
PNG
(US9938222, Example 54)
Show SMILES OC(=O)C1CC1COc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
Show InChI InChI=1S/C18H14ClF3O4/c19-16-6-5-13(26-18(20,21)22)8-14(16)10-1-3-12(4-2-10)25-9-11-7-15(11)17(23)24/h1-6,8,11,15H,7,9H2,(H,23,24)
PDB

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n/an/an/an/a 500n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
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