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Compile Data Set for Download or QSAR

Found 528 hits with Last Name = 'gudi' and Initial = 'gs'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130865
PNG
(CHEMBL3634853)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C25H19N3O2/c29-24-13-11-21(25(28-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(27-19)14-15-26-22/h1-15,26H,16H2,(H,28,29)
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n/an/a 0.210n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130760
PNG
(CHEMBL3634855)
Show SMILES Clc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3[nH]ccc3n2)cc1
Show InChI InChI=1S/C25H18ClN3O2/c26-18-5-1-17(2-6-18)25-21(10-12-24(30)29-25)16-3-8-20(9-4-16)31-15-19-7-11-22-23(28-19)13-14-27-22/h1-14,27H,15H2,(H,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay

Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130759
PNG
(CHEMBL3634854)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3[nH]ccc3n2)cc1
Show InChI InChI=1S/C25H18FN3O2/c26-18-5-1-17(2-6-18)25-21(10-12-24(30)29-25)16-3-8-20(9-4-16)31-15-19-7-11-22-23(28-19)13-14-27-22/h1-14,27H,15H2,(H,29,30)
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n/an/a 0.330n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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n/an/a 0.370n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...

Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130761
PNG
(CHEMBL3634856)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c([nH]1)-c1ccncc1
Show InChI InChI=1S/C24H18N4O2/c29-23-8-6-20(24(28-23)17-9-12-25-13-10-17)16-1-4-19(5-2-16)30-15-18-3-7-21-22(27-18)11-14-26-21/h1-14,26H,15H2,(H,28,29)
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n/an/a 0.540n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130763
PNG
(CHEMBL3634858)
Show SMILES Cn1ccc2nc(COc3ccc(cc3)-c3ccc(=O)[nH]c3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C26H20ClN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
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n/an/a 0.730n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay

Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50494753
PNG
(CHEMBL3094144)
Show SMILES Cc1nc(C)c(s1)-c1nc(C)c2sc3cc(OCc4ccc5ccccc5n4)ccc3n12
Show InChI InChI=1S/C25H20N4OS2/c1-14-23(31-16(3)26-14)24-27-15(2)25-29(24)21-11-10-19(12-22(21)32-25)30-13-18-9-8-17-6-4-5-7-20(17)28-18/h4-12H,13H2,1-3H3
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n/an/a 0.900n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using [3H]-cAMP/[3H]-cGMP as substrate after 30 mins by radiometric assay

Bioorg Med Chem Lett 23: 6747-54 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.027
BindingDB Entry DOI: 10.7270/Q2RV0RP4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130849
PNG
(CHEMBL3634744)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C27H20N2O2/c30-26-17-16-24(27(29-26)21-7-2-1-3-8-21)19-11-14-23(15-12-19)31-18-22-13-10-20-6-4-5-9-25(20)28-22/h1-17H,18H2,(H,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130850
PNG
(CHEMBL3634746)
Show SMILES Clc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19ClN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130860
PNG
(CHEMBL3634847)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c([nH]1)-c1ccncc1
Show InChI InChI=1S/C26H19N3O2/c30-25-12-11-23(26(29-25)20-13-15-27-16-14-20)18-6-9-22(10-7-18)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130853
PNG
(CHEMBL3634748)
Show SMILES Fc1cccc(c1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-6-3-5-20(16-21)27-24(14-15-26(31)30-27)18-9-12-23(13-10-18)32-17-22-11-8-19-4-1-2-7-25(19)29-22/h1-16H,17H2,(H,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)		BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay

Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50381287
PNG
(CHEMBL2019020)
Show SMILES COc1cc(N)ccc1-c1nc2n(C)nc(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25)
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n/an/a 1.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-cAMP from human recombinant PDE7A

Bioorg Med Chem Lett 22: 3223-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.025
BindingDB Entry DOI: 10.7270/Q2NP25F2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50048261
PNG
(CHEMBL3315044)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay

Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130854
PNG
(CHEMBL3634749)
Show SMILES Fc1ccc(c(F)c1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H18F2N2O2/c28-19-8-12-23(24(29)15-19)27-22(13-14-26(32)31-27)17-6-10-21(11-7-17)33-16-20-9-5-18-3-1-2-4-25(18)30-20/h1-15H,16H2,(H,31,32)
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n/an/a 1.40n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM31596
PNG
(substituted pyrazole, 13)
Show SMILES FC(F)(F)Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H19F3N4O/c27-26(28,29)17-33-15-23(18-11-13-30-14-12-18)25(32-33)20-6-9-22(10-7-20)34-16-21-8-5-19-3-1-2-4-24(19)31-21/h1-15H,16-17H2
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n/an/a 1.40n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...

Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130841
PNG
(CHEMBL3634745)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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n/an/a 1.60n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130762
PNG
(CHEMBL3634857)
Show SMILES Cn1ccc2nc(COc3ccc(cc3)-c3ccc(=O)[nH]c3-c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H20FN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
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n/an/a 1.70n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130858
PNG
(CHEMBL3634845)
Show SMILES COc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H22N2O3/c1-32-23-12-9-21(10-13-23)28-25(16-17-27(31)30-28)19-7-14-24(15-8-19)33-18-22-11-6-20-4-2-3-5-26(20)29-22/h2-17H,18H2,1H3,(H,30,31)
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n/an/a 1.90n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
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 1.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...

Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in CHO cells assessed as reduction in PGE2 formation using PGH2 a substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 2594-2601 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.068
BindingDB Entry DOI: 10.7270/Q24B33Q3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130856
PNG
(CHEMBL3634751)
Show SMILES Cc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H22N2O2/c1-19-6-8-22(9-7-19)28-25(16-17-27(31)30-28)20-11-14-24(15-12-20)32-18-23-13-10-21-4-2-3-5-26(21)29-23/h2-17H,18H2,1H3,(H,30,31)
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n/an/a 1.90n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452066
PNG
(CHEMBL4206145)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452084
PNG
(CHEMBL4207228)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)NCC1CCCC1
Show InChI InChI=1S/C24H26Cl2N4O2/c1-24(2)11-15-19-18(28-23(29-19)30-20-16(25)8-5-9-17(20)26)10-14(21(15)32-24)22(31)27-12-13-6-3-4-7-13/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,27,31)(H2,28,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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n/an/a 2.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)		BDBM50130841
PNG
(CHEMBL3634745)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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n/an/a 2.60n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mouse PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 mins by scintillation proximity as...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay

Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130851
PNG
(CHEMBL3634747)
Show SMILES Fc1ccccc1-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-24-7-3-2-6-23(24)27-22(15-16-26(31)30-27)18-10-13-21(14-11-18)32-17-20-12-9-19-5-1-4-8-25(19)29-20/h1-16H,17H2,(H,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452071
PNG
(CHEMBL4208718)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
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n/an/a 2.80n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460529
PNG
(CHEMBL4228804)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-16(20)28)9-12(21(13)37-24)22(36)32-17-8-11(25(29,30)31)6-7-15(17)27/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50397056
PNG
(CHEMBL2171440)
Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)C1CC1C(N)=O
Show InChI InChI=1S/C23H27N5O3/c1-12-19-20(23(30)28(27-12)14-6-4-3-5-7-14)26-22(25-19)15-9-8-13(10-18(15)31-2)16-11-17(16)21(24)29/h8-10,14,16-17H,3-7,11H2,1-2H3,(H2,24,29)(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay

Bioorg Med Chem Lett 22: 6286-91 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.077
BindingDB Entry DOI: 10.7270/Q21Z45JB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460527
PNG
(CHEMBL4228430)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM124296
PNG
(US8759537, 33)
Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)cc3F)c(OCC(F)F)cc12
Show InChI InChI=1S/C29H27Cl3F3N5O3/c1-29(2,3)27(42)36-12-14-5-7-17(31)25(24(14)32)39-28-38-20-10-16(22(43-13-23(34)35)11-21(20)40(28)4)26(41)37-19-8-6-15(30)9-18(19)33/h5-11,23H,12-13H2,1-4H3,(H,36,42)(H,37,41)(H,38,39)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 using PGH2 as substrate pretreated for 25 mins followed by substrate addition measured after 60 secs by HTRF a...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460542
PNG
(CHEMBL4227545)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-15(20)27)9-12(21(13)37-24)22(36)32-17-7-6-11(8-16(17)28)25(29,30)31/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)
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n/an/a 3.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460540
PNG
(CHEMBL4227388)
Show SMILES Cc1ccc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)n(C)c3c3CC(C)(C)Oc23)c(F)c1
Show InChI InChI=1S/C26H23ClF2N4O2/c1-13-8-9-19(18(29)10-13)30-24(34)14-11-20-22(15-12-26(2,3)35-23(14)15)33(4)25(31-20)32-21-16(27)6-5-7-17(21)28/h5-11H,12H2,1-4H3,(H,30,34)(H,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460537
PNG
(CHEMBL4226536)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1
Show InChI InChI=1S/C27H23Cl2FN4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-18(23)29)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-19(20)30/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...

Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460531
PNG
(CHEMBL4226545)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(ccc3F)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1
Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-16(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-18-9-13(26(29,30)31)7-8-17(18)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50130840
PNG
(CHEMBL3634865)
Show SMILES O=c1ccc(-c2ccncc2)c([nH]1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H19N3O2/c30-25-12-11-23(18-13-15-27-16-14-18)26(29-25)20-6-9-22(10-7-20)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
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n/an/a 3.30n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...

J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452078
PNG
(CHEMBL4203842)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460536
PNG
(CHEMBL4225183)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1
Show InChI InChI=1S/C27H23ClF2N4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-19(23)30)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-18(20)29/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207322
PNG
(CHEMBL3916119)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C27H19ClF2N4O3/c28-18-2-1-3-19(29)22(18)33-27-32-21-13-17(24-25(23(21)34-27)37-11-10-36-24)26(35)31-16-9-8-15(20(30)12-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...

Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452079
PNG
(CHEMBL4206581)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452073
PNG
(CHEMBL4210425)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-13(25)8-31-9-14(19)26)6-11(20(12)37-23)21(36)32-16-4-3-10(5-15(16)27)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207343
PNG
(CHEMBL3931344)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...

Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50248978
PNG
(CHEMBL4076884)
Show SMILES CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(cccc1C#N)C#N)C#Cc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C29H16ClF3N4O/c1-28(2)26-25(36-27(37-26)24-18(14-34)4-3-5-19(24)15-35)21-10-7-16(12-23(21)38-28)6-8-17-13-20(29(31,32)33)9-11-22(17)30/h3-5,7,9-13H,1-2H3,(H,36,37)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in CHO cells assessed as reduction in PGE2 formation using PGH2 a substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 2594-2601 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.068
BindingDB Entry DOI: 10.7270/Q24B33Q3
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207343
PNG
(CHEMBL3931344)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
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