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Patent code US8685986

Compile Data Set for Download or QSAR
Found 12 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 EP2 subtype


(Homo sapiens (Human))
BDBM119438
PNG
(BDBM119693 | US8685986, 12)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2ccoc2)cc1
Show InChI InChI=1S/C23H18FN3O4/c24-18-7-5-15(6-8-18)19-11-20(17-9-10-31-13-17)26-21(19)23(29)25-12-14-1-3-16(4-2-14)22(28)27-30/h1-11,13,26,30H,12H2,(H,25,29)(H,27,28)
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US Patent
1.10 -52.0n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119442
PNG
(US8685986, 17)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H18FN3O4/c24-16-8-6-14(7-9-16)18-12-19(15-4-2-1-3-5-15)26-21(18)23(29)25-13-17-10-11-20(31-17)22(28)27-30/h1-12,26,30H,13H2,(H,25,29)(H,27,28)
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US Patent
1.5 -51.2n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119432
PNG
(US8685986, 3)
Show SMILES OC(=O)c1[nH]c(cc1-c1ccc(F)cc1)-c1cccs1
Show InChI InChI=1S/C15H10FNO2S/c16-10-5-3-9(4-6-10)11-8-12(13-2-1-7-20-13)17-14(11)15(18)19/h1-8,17H,(H,18,19)
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US Patent
1.90 -50.6n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119433
PNG
(US8685986, 4)
Show SMILES OC(=O)c1[nH]c(cc1-c1ccc(O)cc1)-c1ccoc1
Show InChI InChI=1S/C15H11NO4/c17-11-3-1-9(2-4-11)12-7-13(10-5-6-20-8-10)16-14(12)15(18)19/h1-8,16-17H,(H,18,19)
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US Patent
2.80 -49.6n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119441
PNG
(US8685986, 16)
Show SMILES COc1ccc(cc1)-c1cc([nH]c1C(=O)Nc1ccc(o1)C(=O)NO)-c1ccccc1
Show InChI InChI=1S/C23H19N3O5/c1-30-16-9-7-14(8-10-16)17-13-18(15-5-3-2-4-6-15)24-21(17)23(28)25-20-12-11-19(31-20)22(27)26-29/h2-13,24,29H,1H3,(H,25,28)(H,26,27)
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US Patent
3.10 -49.4n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119437
PNG
(US8685986, 11)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2cccs2)nc1
Show InChI InChI=1S/C22H17FN4O3S/c23-15-6-3-13(4-7-15)17-10-18(19-2-1-9-31-19)26-20(17)22(29)25-12-16-8-5-14(11-24-16)21(28)27-30/h1-11,26,30H,12H2,(H,25,29)(H,27,28)
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US Patent
3.80 -48.9n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119435
PNG
(US8685986, 6)
Show SMILES COC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(F)cc2)-c2cccs2)nc1
Show InChI InChI=1S/C23H18FN3O3S/c1-30-23(29)15-6-9-17(25-12-15)13-26-22(28)21-18(14-4-7-16(24)8-5-14)11-19(27-21)20-3-2-10-31-20/h2-12,27H,13H2,1H3,(H,26,28)
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US Patent
3.80 -48.9n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119436
PNG
(US8685986, 9)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(O)cc2)-c2ccoc2)cc1
Show InChI InChI=1S/C23H19N3O5/c27-18-7-5-15(6-8-18)19-11-20(17-9-10-31-13-17)25-21(19)23(29)24-12-14-1-3-16(4-2-14)22(28)26-30/h1-11,13,25,27,30H,12H2,(H,24,29)(H,26,28)
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US Patent
4.40 -48.5n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119434
PNG
(US8685986, 5)
Show SMILES COC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(O)cc2)-c2ccoc2)cc1
Show InChI InChI=1S/C24H20N2O5/c1-30-24(29)17-4-2-15(3-5-17)13-25-23(28)22-20(16-6-8-19(27)9-7-16)12-21(26-22)18-10-11-31-14-18/h2-12,14,26-27H,13H2,1H3,(H,25,28)
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US Patent
7 -47.3n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119443
PNG
(US8685986, 18)
Show SMILES COc1ccc(cc1)-c1cc([nH]c1C(=O)Nc1cccc(CC(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O4/c1-33-21-12-10-18(11-13-21)22-16-23(19-7-3-2-4-8-19)28-25(22)26(31)27-20-9-5-6-17(14-20)15-24(30)29-32/h2-14,16,28,32H,15H2,1H3,(H,27,31)(H,29,30)
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9.20 -46.6n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119440
PNG
(BDBM119696 | US8685986, 15)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccoc2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H19N3O5/c27-18-7-5-15(6-8-18)20-11-19(17-9-10-31-13-17)21(25-20)23(29)24-12-14-1-3-16(4-2-14)22(28)26-30/h1-11,13,25,27,30H,12H2,(H,24,29)(H,26,28)
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US Patent
9.40 -46.6n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM119439
PNG
(BDBM119694 | US8685986, 13)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccc(O)cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H19N3O4S/c27-17-9-7-15(8-10-17)18-12-19(20-2-1-11-31-20)25-21(18)23(29)24-13-14-3-5-16(6-4-14)22(28)26-30/h1-12,25,27,30H,13H2,(H,24,29)(H,26,28)
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13 -45.8n/an/an/an/an/a6.030



Ube Industries, Ltd.

US Patent


Assay Description
Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (...


US Patent US8685986 (2014)


BindingDB Entry DOI: 10.7270/Q28S4NK1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%