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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'kadam' and Initial = 'a'   
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 E synthase


(Homo sapiens (Human))
BDBM50028856
PNG
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
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n/an/a 0.100n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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n/an/a 0.940n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028856
PNG
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028853
PNG
(CHEMBL3342695)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCC(F)F)c(c1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C28H27BrClF2N3O4/c1-28(2,3)27(38)33-14-16-4-10-22(30)20(12-16)25(36)35-19-9-11-23(39-15-24(31)32)21(13-19)26(37)34-18-7-5-17(29)6-8-18/h4-13,24H,14-15H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)
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n/an/a 2n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028784
PNG
(CHEMBL3342692)
Show SMILES Cn1c(Nc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc12
Show InChI InChI=1S/C29H29BrClF2N5O3/c1-29(2,3)27(40)34-14-16-5-10-20(31)21(11-16)36-28-37-22-12-19(26(39)35-18-8-6-17(30)7-9-18)24(41-15-25(32)33)13-23(22)38(28)4/h5-13,25H,14-15H2,1-4H3,(H,34,40)(H,35,39)(H,36,37)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028860
PNG
(CHEMBL3342699)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccnc2c(Nc3ccc(cc3)C(F)(F)F)nsc12
Show InChI InChI=1S/C26H23ClF3N5O2S/c1-25(2,3)24(37)32-13-14-4-9-18(27)17(12-14)23(36)34-19-10-11-31-20-21(19)38-35-22(20)33-16-7-5-15(6-8-16)26(28,29)30/h4-12H,13H2,1-3H3,(H,32,37)(H,33,35)(H,31,34,36)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099407
PNG
(CHEMBL3342851)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37)
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n/an/a 4n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099410
PNG
(CHEMBL3342849)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099410
PNG
(CHEMBL3342849)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028861
PNG
(CHEMBL3342700)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2cnn(-c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C28H24ClF3N4O3/c1-27(2,3)26(39)33-14-16-4-11-23(29)22(12-16)24(37)35-19-8-5-17-15-34-36(25(38)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13,15H,14H2,1-3H3,(H,33,39)(H,35,37)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099411
PNG
(CHEMBL3342848)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37)
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n/an/a 6n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028871
PNG
(CHEMBL3342712)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-10-21(27)20(11-15)23-32-22-12-17(6-9-19(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 7n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442406
PNG
(CHEMBL2443061)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Cl)cccc12 |r|
Show InChI InChI=1S/C21H20ClF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442408
PNG
(CHEMBL2443079)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(F)cccc12 |r|
Show InChI InChI=1S/C21H20F4N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028871
PNG
(CHEMBL3342712)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-10-21(27)20(11-15)23-32-22-12-17(6-9-19(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099409
PNG
(CHEMBL3342850)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099408
PNG
(CHEMBL3356955)
Show SMILES NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C21H16N2O5S2/c22-29(25,26)19-8-4-5-9-20(19)30(27,28)23-21(24)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H,23,24)(H2,22,25,26)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099409
PNG
(CHEMBL3342850)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442406
PNG
(CHEMBL2443061)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Cl)cccc12 |r|
Show InChI InChI=1S/C21H20ClF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099412
PNG
(CHEMBL3342847)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50442406
PNG
(CHEMBL2443061)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Cl)cccc12 |r|
Show InChI InChI=1S/C21H20ClF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 by 45Ca2+ uptake assay


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442404
PNG
(CHEMBL2443063)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Br)cccc12 |r|
Show InChI InChI=1S/C21H20BrF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442426
PNG
(CHEMBL2443085)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)CCc2cccc(Br)c2O3)cc1
Show InChI InChI=1S/C21H20BrF3N2O2/c22-17-3-1-2-14-8-9-20(29-18(14)17)10-12-27(13-11-20)19(28)26-16-6-4-15(5-7-16)21(23,24)25/h1-7H,8-13H2,(H,26,28)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442405
PNG
(CHEMBL2443062)
Show SMILES O[C@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Br)cccc12 |r|
Show InChI InChI=1S/C21H20BrF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m0/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442408
PNG
(CHEMBL2443079)
Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(F)cccc12 |r|
Show InChI InChI=1S/C21H20F4N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099412
PNG
(CHEMBL3342847)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028879
PNG
(CHEMBL3342719)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CCC(CC1)C(F)F
Show InChI InChI=1S/C25H26Cl2F2N4O2/c1-13(2)24(34)30-12-14-3-4-18(26)16(9-14)23-31-20-11-19(27)21(10-17(20)25(35)32-23)33-7-5-15(6-8-33)22(28)29/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H,30,34)(H,31,32,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028864
PNG
(CHEMBL3342705)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O2/c1-10(2)18(28)25-9-11-3-6-15(21)14(7-11)17-26-16-8-12(20(22,23)24)4-5-13(16)19(29)27-17/h3-8,10H,9H2,1-2H3,(H,25,28)(H,26,27,29)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028875
PNG
(CHEMBL3342716)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)C1CC1
Show InChI InChI=1S/C22H21Cl2N3O2/c1-11(2)21(28)25-10-12-3-6-17(23)15(7-12)20-26-19-9-18(24)14(13-4-5-13)8-16(19)22(29)27-20/h3,6-9,11,13H,4-5,10H2,1-2H3,(H,25,28)(H,26,27,29)
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n/an/a 32n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 using PGH2 as substrate by RP-HPLC analysis


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099411
PNG
(CHEMBL3342848)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 35n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TRPV1 (unknown origin)


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028874
PNG
(CHEMBL3342715)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H20Cl2F3N3O2/c1-13(2)24(35)32-12-14-3-8-20(27)18(9-14)23-33-22-11-21(28)17(10-19(22)25(36)34-23)15-4-6-16(7-5-15)26(29,30)31/h3-11,13H,12H2,1-2H3,(H,32,35)(H,33,34,36)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human whole blood assessed as inhibition of LPS-induced PGE2 production incubated for 30 mins prior to LPS challenge measure...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028863
PNG
(CHEMBL3342704)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Br)ccc2c(=O)[nH]1
Show InChI InChI=1S/C19H17BrClN3O2/c1-10(2)18(25)22-9-11-3-6-15(21)14(7-11)17-23-16-8-12(20)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442425
PNG
(CHEMBL2443086)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(CC2)CCc2cccc(Cl)c2O3)cc1
Show InChI InChI=1S/C21H20ClF3N2O3/c22-17-3-1-2-14-8-9-20(30-18(14)17)10-12-27(13-11-20)19(28)26-15-4-6-16(7-5-15)29-21(23,24)25/h1-7H,8-13H2,(H,26,28)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028862
PNG
(CHEMBL3342703)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)ccc2c(=O)[nH]1
Show InChI InChI=1S/C19H17Cl2N3O2/c1-10(2)18(25)22-9-11-3-6-15(21)14(7-11)17-23-16-8-12(20)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442410
PNG
(CHEMBL2443074)
Show SMILES OC1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(Br)cccc12
Show InChI InChI=1S/C21H20BrF3N2O3/c22-16-3-1-2-15-17(28)12-20(30-18(15)16)8-10-27(11-9-20)19(29)26-14-6-4-13(5-7-14)21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442407
PNG
(CHEMBL2443060)
Show SMILES O[C@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Cl)cccc12 |r|
Show InChI InChI=1S/C21H20ClF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442427
PNG
(CHEMBL2443084)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)CCc2cccc(Cl)c2O3)cc1
Show InChI InChI=1S/C21H20ClF3N2O2/c22-17-3-1-2-14-8-9-20(29-18(14)17)10-12-27(13-11-20)19(28)26-16-6-4-15(5-7-16)21(23,24)25/h1-7H,8-13H2,(H,26,28)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028855
PNG
(CHEMBL3342694)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nc1
Show InChI InChI=1S/C21H13F6N3O2/c22-20(23,24)13-8-9-17(28-11-13)30-18(31)12-4-3-5-14(10-12)29-19(32)15-6-1-2-7-16(15)21(25,26)27/h1-11H,(H,29,32)(H,28,30,31)
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n/an/a 49n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 using PGH2 as substrate by RP-HPLC analysis


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028873
PNG
(CHEMBL3342714)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2ccc(cc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21ClF3N3O2/c1-14(2)24(34)31-13-15-3-9-21(27)19(11-15)23-32-22-10-6-17(12-20(22)25(35)33-23)16-4-7-18(8-5-16)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 55n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028865
PNG
(CHEMBL3342706)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)C1CC1
Show InChI InChI=1S/C22H22ClN3O2/c1-12(2)21(27)24-11-13-3-8-18(23)17(9-13)20-25-19-10-15(14-4-5-14)6-7-16(19)22(28)26-20/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,24,27)(H,25,26,28)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50099413
PNG
(CHEMBL3342846)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CC(C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H31Cl2N5O3/c1-14(2)24(35)30-11-15-6-7-19(28)17(8-15)23-31-21-10-20(29)22(9-18(21)26(37)32-23)34-12-16(13-34)25(36)33-27(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,30,35)(H,33,36)(H,31,32,37)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442405
PNG
(CHEMBL2443062)
Show SMILES O[C@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Br)cccc12 |r|
Show InChI InChI=1S/C21H20BrF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m0/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028869
PNG
(CHEMBL3342707)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C19H17ClN4O4/c1-10(2)18(25)21-9-11-3-6-15(20)14(7-11)17-22-16-8-12(24(27)28)4-5-13(16)19(26)23-17/h3-8,10H,9H2,1-2H3,(H,21,25)(H,22,23,26)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442411
PNG
(CHEMBL2443073)
Show SMILES OC1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(Cl)cccc12
Show InChI InChI=1S/C21H20ClF3N2O3/c22-16-3-1-2-15-17(28)12-20(30-18(15)16)8-10-27(11-9-20)19(29)26-14-6-4-13(5-7-14)21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50028872
PNG
(CHEMBL3342713)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N4O2/c1-14(2)23(34)30-13-15-3-6-20(26)19(11-15)22-31-21-12-17(4-5-18(21)24(35)32-22)33-9-7-16(8-10-33)25(27,28)29/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,30,34)(H,31,32,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...


Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442412
PNG
(CHEMBL2443072)
Show SMILES OC1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(F)cccc12
Show InChI InChI=1S/C21H20F4N2O3/c22-16-3-1-2-15-17(28)12-20(30-18(15)16)8-10-27(11-9-20)19(29)26-14-6-4-13(5-7-14)21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50442409
PNG
(CHEMBL2443078)
Show SMILES O[C@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(F)cccc12 |r|
Show InChI InChI=1S/C21H20F4N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m0/s1
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Glenmark Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...


Bioorg Med Chem 21: 6542-53 (2013)


Article DOI: 10.1016/j.bmc.2013.08.031
BindingDB Entry DOI: 10.7270/Q2TH8P5S
More data for this
Ligand-Target Pair
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