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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042258   
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
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422961
PNG
(CHEMBL387969)
Show SMILES CC(=O)Nc1ccc(cc1C(O)=O)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
Show InChI InChI=1S/C27H21BrF2N2O4/c1-15-3-9-25(32(15)20-7-8-24(31-16(2)33)21(13-20)27(34)35)22-11-18(28)5-10-26(22)36-14-17-4-6-19(29)12-23(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422978
PNG
(CHEMBL228586)
Show SMILES COc1ccc(cc1C(O)=O)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
Show InChI InChI=1S/C26H20BrF2NO4/c1-15-3-8-23(30(15)19-7-10-24(33-2)21(13-19)26(31)32)20-11-17(27)5-9-25(20)34-14-16-4-6-18(28)12-22(16)29/h3-13H,14H2,1-2H3,(H,31,32)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422971
PNG
(CHEMBL387878)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(OC(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C26H18BrF4NO4/c1-14-2-7-22(32(14)18-6-9-24(36-26(30)31)20(12-18)25(33)34)19-10-16(27)4-8-23(19)35-13-15-3-5-17(28)11-21(15)29/h2-12,26H,13H2,1H3,(H,33,34)
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n/an/a 0.630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422986
PNG
(CHEMBL228593)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H22BrFN2O3/c1-15-3-9-24(30(15)20-12-21(26(31)32)16(2)23(29)13-20)22-11-18(27)6-10-25(22)33-14-17-4-7-19(28)8-5-17/h3-13H,14,29H2,1-2H3,(H,31,32)
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n/an/a 0.790n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422974
PNG
(CHEMBL230765)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C25H18BrF2NO3/c1-15-2-10-23(29(15)19-8-9-22(28)20(13-19)25(30)31)21-12-17(26)5-11-24(21)32-14-16-3-6-18(27)7-4-16/h2-13H,14H2,1H3,(H,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422977
PNG
(CHEMBL228963)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(C(O)=O)c2cc[nH]c2c1
Show InChI InChI=1S/C27H21ClN2O3/c1-17-7-9-25(30(17)20-14-22(27(31)32)21-11-12-29-24(21)15-20)23-13-19(28)8-10-26(23)33-16-18-5-3-2-4-6-18/h2-15,29H,16H2,1H3,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422973
PNG
(CHEMBL395248)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H20BrF2NO3/c1-15-3-8-20(13-21(15)26(31)32)30-16(2)4-9-24(30)22-11-18(27)6-10-25(22)33-14-17-5-7-19(28)12-23(17)29/h3-13H,14H2,1-2H3,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422967
PNG
(CHEMBL426913)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H23ClN2O3/c1-16-8-10-24(29(16)20-13-21(26(30)31)17(2)23(28)14-20)22-12-19(27)9-11-25(22)32-15-18-6-4-3-5-7-18/h3-14H,15,28H2,1-2H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422981
PNG
(CHEMBL230766)
Show SMILES Cc1ccc(-c2cc(ccc2OCc2ccccc2)C(F)(F)F)n1-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C26H19F4NO3/c1-16-7-11-23(31(16)19-9-10-22(27)20(14-19)25(32)33)21-13-18(26(28,29)30)8-12-24(21)34-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422963
PNG
(CHEMBL228638)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(OC(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C26H19BrF3NO4/c1-15-2-9-22(31(15)19-8-11-24(35-26(29)30)21(13-19)25(32)33)20-12-17(27)5-10-23(20)34-14-16-3-6-18(28)7-4-16/h2-13,26H,14H2,1H3,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422983
PNG
(CHEMBL395488)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C25H18BrF2NO4/c1-14-2-7-22(29(14)18-6-8-23(30)20(12-18)25(31)32)19-10-16(26)4-9-24(19)33-13-15-3-5-17(27)11-21(15)28/h2-12,30H,13H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422964
PNG
(CHEMBL414978)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C29H20BrF2NO3/c1-17-6-10-27(33(17)22-12-18-4-2-3-5-23(18)24(15-22)29(34)35)25-13-20(30)8-11-28(25)36-16-19-7-9-21(31)14-26(19)32/h2-15H,16H2,1H3,(H,34,35)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422972
PNG
(CHEMBL397655)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H20ClF2NO3/c1-15-3-8-20(13-21(15)26(31)32)30-16(2)4-9-24(30)22-11-18(27)6-10-25(22)33-14-17-5-7-19(28)12-23(17)29/h3-13H,14H2,1-2H3,(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422975
PNG
(CHEMBL230875)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C25H18BrClFNO3/c1-15-2-10-23(29(15)19-8-9-22(27)20(13-19)25(30)31)21-12-17(26)5-11-24(21)32-14-16-3-6-18(28)7-4-16/h2-13H,14H2,1H3,(H,30,31)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422976
PNG
(CHEMBL388294)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H23BrN2O3/c1-16-8-10-24(29(16)20-13-21(26(30)31)17(2)23(28)14-20)22-12-19(27)9-11-25(22)32-15-18-6-4-3-5-7-18/h3-14H,15,28H2,1-2H3,(H,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422962
PNG
(CHEMBL228644)
Show SMILES Cc1ccc(-c2cc(ccc2OCc2ccc(F)cc2)C(F)(F)F)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C27H22F4N2O3/c1-15-3-9-24(33(15)20-12-21(26(34)35)16(2)23(32)13-20)22-11-18(27(29,30)31)6-10-25(22)36-14-17-4-7-19(28)8-5-17/h3-13H,14,32H2,1-2H3,(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422968
PNG
(CHEMBL228592)
Show SMILES Cc1ccc(-c2cc(ccc2OCc2ccccc2)C(F)(F)F)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C27H23F3N2O3/c1-16-8-10-24(32(16)20-13-21(26(33)34)17(2)23(31)14-20)22-12-19(27(28,29)30)9-11-25(22)35-15-18-6-4-3-5-7-18/h3-14H,15,31H2,1-2H3,(H,33,34)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422960
PNG
(CHEMBL231184 | GW855454X)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(c1)C(O)=O
Show InChI InChI=1S/C26H21ClFNO3/c1-16-3-10-21(14-22(16)26(30)31)29-17(2)4-11-24(29)23-13-19(27)7-12-25(23)32-15-18-5-8-20(28)9-6-18/h3-14H,15H2,1-2H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422985
PNG
(CHEMBL374824)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(OC(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C26H20BrF2NO4/c1-16-7-10-22(30(16)19-9-12-24(34-26(28)29)21(14-19)25(31)32)20-13-18(27)8-11-23(20)33-15-17-5-3-2-4-6-17/h2-14,26H,15H2,1H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422979
PNG
(CHEMBL228746)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C29H21BrFNO3/c1-18-6-12-27(32(18)23-14-20-4-2-3-5-24(20)25(16-23)29(33)34)26-15-21(30)9-13-28(26)35-17-19-7-10-22(31)11-8-19/h2-16H,17H2,1H3,(H,33,34)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422984
PNG
(CHEMBL228695)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C29H22ClNO3/c1-19-11-13-27(26-16-22(30)12-14-28(26)34-18-20-7-3-2-4-8-20)31(19)23-15-21-9-5-6-10-24(21)25(17-23)29(32)33/h2-17H,18H2,1H3,(H,32,33)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50187023
PNG
(3-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)-5-methy...)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H19BrFNO3/c1-16-5-11-23(28(16)21-4-2-3-18(13-21)25(29)30)22-14-19(26)8-12-24(22)31-15-17-6-9-20(27)10-7-17/h2-14H,15H2,1H3,(H,29,30)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50187023
PNG
(3-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)-5-methy...)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H19BrFNO3/c1-16-5-11-23(28(16)21-4-2-3-18(13-21)25(29)30)22-14-19(26)8-12-24(22)31-15-17-6-9-20(27)10-7-17/h2-14H,15H2,1H3,(H,29,30)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422969
PNG
(CHEMBL388478)
Show SMILES Cc1ccc(-c2cc(ccc2OCc2ccc(F)cc2)C(F)(F)F)n1-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C26H18F5NO3/c1-15-2-10-23(32(15)19-8-9-22(28)20(13-19)25(33)34)21-12-17(26(29,30)31)5-11-24(21)35-14-16-3-6-18(27)7-4-16/h2-13H,14H2,1H3,(H,33,34)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422959
PNG
(CHEMBL390081)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C29H22BrNO3/c1-19-11-13-27(26-16-22(30)12-14-28(26)34-18-20-7-3-2-4-8-20)31(19)23-15-21-9-5-6-10-24(21)25(17-23)29(32)33/h2-17H,18H2,1H3,(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422982
PNG
(CHEMBL230874)
Show SMILES Cc1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C25H18F3NO3/c1-15-2-10-23(29(15)19-8-9-22(28)20(13-19)25(30)31)21-12-18(27)7-11-24(21)32-14-16-3-5-17(26)6-4-16/h2-13H,14H2,1H3,(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422965
PNG
(CHEMBL230873)
Show SMILES Cc1ccc(-c2cc(C)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C26H21F2NO3/c1-16-3-12-25(32-15-18-5-7-19(27)8-6-18)22(13-16)24-11-4-17(2)29(24)20-9-10-23(28)21(14-20)26(30)31/h3-14H,15H2,1-2H3,(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422970
PNG
(CHEMBL388510)
Show SMILES Cc1ccc(-c2cc(C)ccc2OCc2ccc(F)cc2)n1-c1cc(N)c(C)c(c1)C(O)=O
Show InChI InChI=1S/C27H25FN2O3/c1-16-4-11-26(33-15-19-6-8-20(28)9-7-19)23(12-16)25-10-5-17(2)30(25)21-13-22(27(31)32)18(3)24(29)14-21/h4-14H,15,29H2,1-3H3,(H,31,32)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422966
PNG
(CHEMBL397226)
Show SMILES Cc1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C29H21F2NO3/c1-18-6-12-27(32(18)23-14-20-4-2-3-5-24(20)25(16-23)29(33)34)26-15-22(31)11-13-28(26)35-17-19-7-9-21(30)10-8-19/h2-16H,17H2,1H3,(H,33,34)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50422980
PNG
(CHEMBL269514)
Show SMILES Cc1ccc(-c2cc(C)ccc2OCc2ccc(F)cc2)n1-c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C30H24FNO3/c1-19-7-14-29(35-18-21-9-11-23(31)12-10-21)27(15-19)28-13-8-20(2)32(28)24-16-22-5-3-4-6-25(22)26(17-24)30(33)34/h3-17H,18H2,1-2H3,(H,33,34)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane


Bioorg Med Chem Lett 17: 916-20 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.059
BindingDB Entry DOI: 10.7270/Q2VX0HV3
More data for this
Ligand-Target Pair