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Compile Data Set for Download or QSAR

Found 303 hits with Last Name = 'tobe' and Initial = 'm'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434670
PNG
(CHEMBL2387587)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28)
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n/an/a 2.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434669
PNG
(CHEMBL2387588)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434668
PNG
(CHEMBL2387503)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
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n/an/a 4.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434671
PNG
(CHEMBL2387507)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl
Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28)
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n/an/a 4.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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n/an/a 4.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434673
PNG
(CHEMBL2387505)
Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434685
PNG
(CHEMBL2387599)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434672
PNG
(CHEMBL2387506)
Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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n/an/a 8.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360832
PNG
(CHEMBL1934810)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 9.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360832
PNG
(CHEMBL1934810)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 9.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434674
PNG
(CHEMBL2387504)
Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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n/an/a 9.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434677
PNG
(CHEMBL2387500)
Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434676
PNG
(CHEMBL2387501)
Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434688
PNG
(CHEMBL2387596)
Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434684
PNG
(CHEMBL2387600)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21
Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434683
PNG
(CHEMBL2387601)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21
Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434681
PNG
(CHEMBL2387603)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1
Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434680
PNG
(CHEMBL2387604)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1
Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295714
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-13-5-11-30(15-16-31)12-6-14-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
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n/an/a 23n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295708
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)38-24-10-9-20(17-22(24)33)18-27(35)36/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H,35,36)
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n/an/a 23n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434694
PNG
(CHEMBL2387590)
Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 27n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431411
PNG
(CHEMBL2348040)
Show SMILES CSc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3S/c1-23-17-15-14(11-7-6-9(18)8-13(11)20-17)21-16(22-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434682
PNG
(CHEMBL2387602)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434668
PNG
(CHEMBL2387503)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1-mediated PGE2 release in IL1alpha-stimulated human A549 cells


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295710
PNG
(10-(4-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-15-13-30(14-16-31)11-5-6-12-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
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n/an/a 35n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295715
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C26H29N5O4S/c1-27-23(17-24(32)28(2)26(27)35)30-14-12-29(13-15-30)10-5-11-31-19-6-3-4-7-21(19)36-22-9-8-18(25(33)34)16-20(22)31/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,33,34)
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n/an/a 37n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295709
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-20-6-3-4-7-22(20)37-23-9-8-19(16-21(23)32)17-26(34)35/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295709
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-20-6-3-4-7-22(20)37-23-9-8-19(16-21(23)32)17-26(34)35/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295720
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)C1=CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1 |t:11|
Show InChI InChI=1S/C28H30N4O4S/c1-29-22(18-26(33)30(2)28(29)36)20-10-14-31(15-11-20)12-5-13-32-21-6-3-4-7-24(21)37-25-9-8-19(16-23(25)32)17-27(34)35/h3-4,6-10,16,18H,5,11-15,17H2,1-2H3,(H,34,35)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343578
PNG
(5-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-22-8-4-3-7-21(22)19-38-24-10-9-20(27(35)36)17-23(24)33/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,35,36)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295723
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C30H37N5O4S/c1-4-22(29(37)38)21-11-12-26-24(19-21)35(23-9-5-6-10-25(23)40-26)16-8-14-33-13-7-15-34(18-17-33)27-20-28(36)32(3)30(39)31(27)2/h5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,37,38)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295717
PNG
(10-((1-(3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(cc34)C(O)=O)CC2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O4S/c1-30-25(17-26(34)31(2)28(30)37)29-12-5-13-32-14-10-19(11-15-32)18-33-21-6-3-4-7-23(21)38-24-9-8-20(27(35)36)16-22(24)33/h3-4,6-9,16-17,19,29H,5,10-15,18H2,1-2H3,(H,35,36)
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n/an/a 46n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434689
PNG
(CHEMBL2387595)
Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295716
PNG
(10-((1-(3-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1)c1cc(=O)n(C)c(=O)n1C
Show InChI InChI=1S/C29H35N5O4S/c1-30(26-18-27(35)32(3)29(38)31(26)2)13-6-14-33-15-11-20(12-16-33)19-34-22-7-4-5-8-24(22)39-25-10-9-21(28(36)37)17-23(25)34/h4-5,7-10,17-18,20H,6,11-16,19H2,1-3H3,(H,36,37)
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n/an/a 53n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434687
PNG
(CHEMBL2387597)
Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25)
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n/an/a 53n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343589
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C30H37N5O4/c1-31-27(21-28(36)32(2)30(31)39)34-15-5-13-33(17-18-34)14-6-16-35-25-8-4-3-7-23(25)11-12-24-10-9-22(19-26(24)35)20-29(37)38/h3-4,7-10,19,21H,5-6,11-18,20H2,1-2H3,(H,37,38)
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n/an/a 54n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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n/an/a 58n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431410
PNG
(CHEMBL2348041)
Show SMILES CCSc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H13BrClN3S/c1-2-24-18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,2H2,1H3,(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360830
PNG
(CHEMBL1934808)
Show SMILES COc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3O/c1-23-17-15-14(11-7-6-9(18)8-13(11)20-17)21-16(22-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343583
PNG
((Z)-11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-6-13-32(15-16-33)12-5-9-23-22-8-4-3-7-21(22)19-38-25-11-10-20(28(35)36)17-24(23)25/h3-4,7-11,17-18H,5-6,12-16,19H2,1-2H3,(H,35,36)/b23-9-
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n/an/a 63n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295726
PNG
(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H35N5O4S/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-22-7-3-4-8-24(22)39-25-11-9-21(19-23(25)34)10-12-28(36)37/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,36,37)
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n/an/a 69n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343572
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C29H35N5O4/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-24-8-4-3-7-21(24)9-10-22-11-12-23(28(36)37)19-25(22)34/h3-4,7-8,11-12,19-20H,5-6,9-10,13-18H2,1-2H3,(H,36,37)
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n/an/a 70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434686
PNG
(CHEMBL2387598)
Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26)
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n/an/a 70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295725
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C29H35N5O4S/c1-20(28(36)37)21-10-11-25-23(18-21)34(22-8-4-5-9-24(22)39-25)15-7-13-32-12-6-14-33(17-16-32)26-19-27(35)31(3)29(38)30(26)2/h4-5,8-11,18-20H,6-7,12-17H2,1-3H3,(H,36,37)
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n/an/a 72n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343588
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C32H41N5O4/c1-32(2,30(39)40)25-14-13-24-12-11-23-9-5-6-10-26(23)37(27(24)21-25)18-8-16-35-15-7-17-36(20-19-35)28-22-29(38)34(4)31(41)33(28)3/h5-6,9-10,13-14,21-22H,7-8,11-12,15-20H2,1-4H3,(H,39,40)
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n/an/a 75n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22874
PNG
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
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n/an/a 78n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
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