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Patent code US9624159

Compile Data Set for Download or QSAR
Found 8 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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204970
PNG
(US9249085, I(ad) | US9624159, Compound I(ad))
Show SMILES Cc1cc(cc(CNc2c(F)ccc(OCC(O)=O)c2C)c1F)-c1cccc(F)c1
Show InChI InChI=1S/C23H20F3NO3/c1-13-8-16(15-4-3-5-18(24)10-15)9-17(22(13)26)11-27-23-14(2)20(7-6-19(23)25)30-12-21(28)29/h3-10,27H,11-12H2,1-2H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204967
PNG
(US9249085, I(aa) | US9624159, Compound I(aa))
Show SMILES Cc1c(F)cc(cc1CNc1c(F)ccc(OCC(O)=O)c1F)-c1cccc(F)c1
Show InChI InChI=1S/C22H17F4NO3/c1-12-15(7-14(9-18(12)25)13-3-2-4-16(23)8-13)10-27-22-17(24)5-6-19(21(22)26)30-11-20(28)29/h2-9,27H,10-11H2,1H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204951
PNG
(US9249085, I(k) | US9624159, Compound I(k))
Show SMILES OC(=O)COc1ccc(Cl)c(NCc2cc(ccc2F)-c2cccc(F)c2)c1F
Show InChI InChI=1S/C21H15ClF3NO3/c22-16-5-7-18(29-11-19(27)28)20(25)21(16)26-10-14-8-13(4-6-17(14)24)12-2-1-3-15(23)9-12/h1-9,26H,10-11H2,(H,27,28)
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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204986
PNG
(US9249085, I(at) | US9624159, Compound I(at))
Show SMILES Cc1cc(cc(CNc2c(F)ccc(OCC(O)=O)c2C)c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H23F2NO3/c1-14-9-18(17-5-4-6-20(25)11-17)10-19(15(14)2)12-27-24-16(3)22(8-7-21(24)26)30-13-23(28)29/h4-11,27H,12-13H2,1-3H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204978
PNG
(US9249085, I(al) | US9624159, Compound I(al))
Show SMILES COc1c(C)cc(cc1CNc1c(C)ccc(OCC(O)=O)c1C)-c1cccc(F)c1
Show InChI InChI=1S/C25H26FNO4/c1-15-8-9-22(31-14-23(28)29)17(3)24(15)27-13-20-11-19(10-16(2)25(20)30-4)18-6-5-7-21(26)12-18/h5-12,27H,13-14H2,1-4H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204989
PNG
(US9249085, I(aw) | US9624159, Compound I(aw))
Show SMILES Cc1ccc(OCC(O)=O)c(C)c1NCc1cc(cc(F)c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H23F2NO3/c1-14-7-8-22(30-13-23(28)29)16(3)24(14)27-12-19-9-18(11-21(26)15(19)2)17-5-4-6-20(25)10-17/h4-11,27H,12-13H2,1-3H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204977
PNG
(US9249085, I(ak) | US9624159, Compound I(ak))
Show SMILES Cc1cc(cc(CNc2c(C)ccc(OCC(O)=O)c2C)c1C)-c1cccc(F)c1
Show InChI InChI=1S/C25H26FNO3/c1-15-8-9-23(30-14-24(28)29)18(4)25(15)27-13-21-11-20(10-16(2)17(21)3)19-6-5-7-22(26)12-19/h5-12,27H,13-14H2,1-4H3,(H,28,29)
PDB

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SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM204958
PNG
(US9249085, I(r) | US9624159, Compound I(r))
Show SMILES OC(=O)COc1ccc(Cl)c(NCc2cc(ccc2F)-c2cccc(F)c2)c1Cl
Show InChI InChI=1S/C21H15Cl2F2NO3/c22-16-5-7-18(29-11-19(27)28)20(23)21(16)26-10-14-8-13(4-6-17(14)25)12-2-1-3-15(24)9-12/h1-9,26H,10-11H2,(H,27,28)
PDB

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US Patent
n/an/a>300n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prosta...


US Patent US9624159 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%