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Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'zollner' and Initial = 'tm'   
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
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506203
PNG
(CHEMBL4452312)
Show SMILES COc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-18-8-3-2-5-14(18)11-21(25)24-16-9-10-19(20(13-16)30(23,26)27)29-17-7-4-6-15(22)12-17/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506156
PNG
(CHEMBL4471140)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C21H19ClN2O4S/c22-18-9-5-4-8-16(18)12-21(25)24-17-10-11-19(20(13-17)29(23,26)27)28-14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537001
PNG
(CHEMBL4520937)
Show SMILES CCn1c2ccc(cc2c2cccc(C)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-5-29-22-11-9-18(15-21(22)20-8-6-7-16(2)25(20)29)26-28-24-17(3)19(27(31)32)10-12-23(24)30(26)13-14-33-4/h6-12,15H,5,13-14H2,1-4H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261864
PNG
(2-(9-Ethyl-9H-carbazol-3-yl)-4-fluoro-1-(2-methoxy...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2c(F)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C25H22FN3O3/c1-3-28-19-7-5-4-6-16(19)18-14-15(8-10-20(18)28)24-27-23-21(29(24)12-13-32-2)11-9-17(22(23)26)25(30)31/h4-11,14H,3,12-13H2,1-2H3,(H,30,31)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261893
PNG
(2-(6-Chloro-9-ethyl-9H-carbazol-3-yl)-1-(2-methoxy...)
Show SMILES CCn1c2ccc(Cl)cc2c2cc(ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C26H24ClN3O3/c1-4-29-21-8-5-16(13-19(21)20-14-17(27)6-9-22(20)29)25-28-24-15(2)18(26(31)32)7-10-23(24)30(25)11-12-33-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537002
PNG
(CHEMBL4483026)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C25H23N3O3/c1-3-27-21-7-5-4-6-18(21)19-14-16(8-10-22(19)27)24-26-20-15-17(25(29)30)9-11-23(20)28(24)12-13-31-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,29,30)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506173
PNG
(CHEMBL4589444)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCC1
Show InChI InChI=1S/C19H21ClN2O4S/c20-16-7-2-1-6-14(16)10-19(23)22-15-8-9-17(18(11-15)27(21,24)25)26-12-13-4-3-5-13/h1-2,6-9,11,13H,3-5,10,12H2,(H,22,23)(H2,21,24,25)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261894
PNG
(2-(8-Chloro-9-ethyl-9H-carbazol-3-yl)-1-(2-methoxy...)
Show SMILES CCn1c2ccc(cc2c2cccc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C26H24ClN3O3/c1-4-29-21-10-8-16(14-19(21)18-6-5-7-20(27)24(18)29)25-28-23-15(2)17(26(31)32)9-11-22(23)30(25)12-13-33-3/h5-11,14H,4,12-13H2,1-3H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261795
PNG
(3-[2-(9-Ethyl-9H-carbazol-3-yl)-1-(2-methoxyethyl)...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CCOC)-c1noc(=O)[nH]1
Show InChI InChI=1S/C26H23N5O3/c1-3-30-21-7-5-4-6-18(21)19-14-17(9-10-22(19)30)25-27-20-15-16(24-28-26(32)34-29-24)8-11-23(20)31(25)12-13-33-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,29,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261794
PNG
(9-Ethyl-3-[1-(2-methoxyethyl)-5-(1H-tetrazol-5-yl)...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CCOC)-c1nnn[nH]1
Show InChI InChI=1S/C25H23N7O/c1-3-31-21-7-5-4-6-18(21)19-14-17(9-10-22(19)31)25-26-20-15-16(24-27-29-30-28-24)8-11-23(20)32(25)12-13-33-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,28,29,30)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261884
PNG
(2-(9-Ethyl-9H-carbazol-3-yl)-1-(tetrahydrofuran-2-...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CC1CCCO1)C(O)=O
Show InChI InChI=1S/C27H25N3O3/c1-2-29-23-8-4-3-7-20(23)21-14-17(9-11-24(21)29)26-28-22-15-18(27(31)32)10-12-25(22)30(26)16-19-6-5-13-33-19/h3-4,7-12,14-15,19H,2,5-6,13,16H2,1H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506179
PNG
(CHEMBL4579583)
Show SMILES COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1
Show InChI InChI=1S/C21H19ClN2O5S/c1-28-16-6-4-7-17(13-16)29-19-10-9-15(12-20(19)30(23,26)27)24-21(25)11-14-5-2-3-8-18(14)22/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506184
PNG
(CHEMBL4447043)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1Oc1cccc(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN2O4S/c21-12-3-1-4-14(9-12)29-18-8-7-13(10-19(18)30(24,27)28)25-20(26)11-15-16(22)5-2-6-17(15)23/h1-10H,11H2,(H,25,26)(H2,24,27,28)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548475
PNG
(CHEMBL4747248)
Show SMILES CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccc(F)c3)cc21)S(=O)(=O)c1ccc(F)cc1
PDB

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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548486
PNG
(CHEMBL4741994)
Show SMILES CC(=O)N1CCC2(CC1)C(CC=C)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
PDB

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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506187
PNG
(CHEMBL4522504)
Show SMILES Cc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H19ClN2O4S/c1-14-5-2-3-6-15(14)11-21(25)24-17-9-10-19(20(13-17)29(23,26)27)28-18-8-4-7-16(22)12-18/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512726
PNG
(CHEMBL4459950)
Show SMILES CC[C@@H](CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C |r|
Show InChI InChI=1S/C34H42N2O3/c1-5-25(19-32(37)38)30-11-8-12-31(23(30)4)36-34(39)33(27-9-6-7-10-27)28-15-13-26(14-16-28)29-18-24(17-22(2)3)20-35-21-29/h8,11-16,18,20-22,25,27,33H,5-7,9-10,17,19H2,1-4H3,(H,36,39)(H,37,38)/t25-,33?/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506180
PNG
(CHEMBL4556573)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1
Show InChI InChI=1S/C20H17ClN2O4S/c21-17-9-5-4-6-14(17)12-20(24)23-15-10-11-18(19(13-15)28(22,25)26)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,23,24)(H2,22,25,26)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512715
PNG
(CHEMBL4443717)
Show SMILES C[C@H](CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C |r|
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)/t18-,28-/m1/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
PDB

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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537004
PNG
(CHEMBL4584103)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CC1CC1)C(O)=O
Show InChI InChI=1S/C26H23N3O2/c1-2-28-22-6-4-3-5-19(22)20-13-17(9-11-23(20)28)25-27-21-14-18(26(30)31)10-12-24(21)29(25)15-16-7-8-16/h3-6,9-14,16H,2,7-8,15H2,1H3,(H,30,31)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506201
PNG
(CHEMBL4516176)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N2O4S/c21-15-6-2-1-5-13(15)11-20(25)24-14-9-10-18(19(12-14)29(23,26)27)28-17-8-4-3-7-16(17)22/h1-10,12H,11H2,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506178
PNG
(CHEMBL4555657)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1OCC1CCOCC1
Show InChI InChI=1S/C20H22ClFN2O5S/c21-16-2-1-3-17(22)15(16)11-20(25)24-14-4-5-18(19(10-14)30(23,26)27)29-12-13-6-8-28-9-7-13/h1-5,10,13H,6-9,11-12H2,(H,24,25)(H2,23,26,27)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512700
PNG
(CHEMBL4443787)
Show SMILES Cc1c(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cccc1OCC(O)=O |r|
Show InChI InChI=1S/C27H27ClN2O4/c1-17-23(7-4-8-24(17)34-16-25(31)32)30-27(33)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(28)15-29-14-21/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,30,33)(H,31,32)/t26-/m1/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261892
PNG
(2-(9-Ethyl-6-methyl-9H-carbazol-3-yl)-1-(2-methoxy...)
Show SMILES CCn1c2ccc(C)cc2c2cc(ccc12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-5-29-22-9-6-16(2)14-20(22)21-15-18(7-10-23(21)29)26-28-25-17(3)19(27(31)32)8-11-24(25)30(26)12-13-33-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261766
PNG
(N-[(3-Chlorophenyl)sulphonyl]-2-(9-ethyl-9H-carbaz...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CCOC)C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C31H27ClN4O4S/c1-3-35-27-10-5-4-9-24(27)25-17-20(11-13-28(25)35)30-33-26-18-21(12-14-29(26)36(30)15-16-40-2)31(37)34-41(38,39)23-8-6-7-22(32)19-23/h4-14,17-19H,3,15-16H2,1-2H3,(H,34,37)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM314816
PNG
((R/S) 3-{3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyr...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506183
PNG
(CHEMBL4521017)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1Oc1cccc(Cl)c1
Show InChI InChI=1S/C20H15Cl3N2O4S/c21-12-3-1-4-14(9-12)29-18-8-7-13(10-19(18)30(24,27)28)25-20(26)11-15-16(22)5-2-6-17(15)23/h1-10H,11H2,(H,25,26)(H2,24,27,28)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512718
PNG
(CHEMBL4524932)
Show SMILES CC(C)Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C32H38N2O3/c1-21(2)17-23-18-28(20-33-19-23)25-11-13-27(14-12-25)31(26-7-4-5-8-26)32(37)34-29-10-6-9-24(22(29)3)15-16-30(35)36/h6,9-14,18-21,26,31H,4-5,7-8,15-17H2,1-3H3,(H,34,37)(H,35,36)
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50041550
PNG
(CHEMBL3358413)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C29H26ClF4N3O5S2/c30-19-14-22(29(32,33)34)24(35-15-19)16-36-27(38)18-3-8-25-23(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537016
PNG
(CHEMBL4563081)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2c(Cl)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C25H22ClN3O3/c1-3-28-19-7-5-4-6-16(19)18-14-15(8-10-20(18)28)24-27-23-21(29(24)12-13-32-2)11-9-17(22(23)26)25(30)31/h4-11,14H,3,12-13H2,1-2H3,(H,30,31)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537008
PNG
(CHEMBL4531968)
Show SMILES CCn1c2ccc(cc2c2cc(ccc12)C(F)(F)F)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C27H24F3N3O3/c1-4-32-21-8-5-16(13-19(21)20-14-17(27(28,29)30)6-9-22(20)32)25-31-24-15(2)18(26(34)35)7-10-23(24)33(25)11-12-36-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,34,35)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548469
PNG
(CHEMBL4762368)
Show SMILES [O-][S+]1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1 |(35.81,-1.68,;35.41,-3.17,;36.5,-4.27,;36.11,-5.75,;34.63,-6.15,;33.53,-5.08,;33.93,-3.59,;35.55,-7.39,;37.09,-7.37,;38.44,-8.13,;38.42,-6.58,;34.66,-8.66,;33.18,-8.2,;31.84,-8.97,;30.51,-8.21,;30.51,-6.67,;29.17,-5.91,;27.84,-6.68,;27.85,-8.22,;26.5,-5.92,;26.5,-4.38,;25.17,-3.62,;23.83,-4.39,;23.85,-5.94,;25.18,-6.7,;31.83,-5.89,;33.16,-6.65,;35.15,-10.11,;36.63,-9.71,;36.24,-11.2,;34.14,-11.27,;32.63,-10.97,;31.61,-12.13,;32.11,-13.59,;31.1,-14.76,;33.63,-13.89,;34.64,-12.72,)|
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50537003
PNG
(CHEMBL4548032)
Show SMILES COCCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CC1CC1)C(O)=O
Show InChI InChI=1S/C27H25N3O3/c1-33-13-12-29-23-5-3-2-4-20(23)21-14-18(8-10-24(21)29)26-28-22-15-19(27(31)32)9-11-25(22)30(26)16-17-6-7-17/h2-5,8-11,14-15,17H,6-7,12-13,16H2,1H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512714
PNG
(CHEMBL4454773)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)/t27-/m1/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548475
PNG
(CHEMBL4747248)
Show SMILES CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccc(F)c3)cc21)S(=O)(=O)c1ccc(F)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))		BDBM50506172
PNG
(CHEMBL4563994)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1
Show InChI InChI=1S/C22H21ClN2O4S/c23-19-9-5-4-8-17(19)14-22(26)25-18-10-11-20(21(15-18)30(24,27)28)29-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,25,26)(H2,24,27,28)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...

J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548463
PNG
(CHEMBL4781434)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM314817
PNG
((−) (R) 3-{3-[(Cyclopentyl{4-[5-(trifluorome...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)/t27-/m1/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548468
PNG
(CHEMBL4747322)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548488
PNG
(CHEMBL4780737)
Show SMILES CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512717
PNG
(CHEMBL4435689)
Show SMILES CC[C@@H](CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C |r|
Show InChI InChI=1S/C32H38N2O3/c1-4-22-17-27(20-33-19-22)24-13-15-26(16-14-24)31(25-9-6-7-10-25)32(37)34-29-12-8-11-28(21(29)3)23(5-2)18-30(35)36/h8,11-17,19-20,23,25,31H,4-7,9-10,18H2,1-3H3,(H,34,37)(H,35,36)/t23-,31?/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548493
PNG
(BAY-784)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548488
PNG
(CHEMBL4780737)
Show SMILES CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548486
PNG
(CHEMBL4741994)
Show SMILES CC(=O)N1CCC2(CC1)C(CC=C)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM261867
PNG
(1-(2-Cyclopropylethyl)-2-(9-ethyl-9H-carbazol-3-yl...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CCC1CC1)C(O)=O
Show InChI InChI=1S/C27H25N3O2/c1-2-29-23-6-4-3-5-20(23)21-15-18(9-11-24(21)29)26-28-22-16-19(27(31)32)10-12-25(22)30(26)14-13-17-7-8-17/h3-6,9-12,15-17H,2,7-8,13-14H2,1H3,(H,31,32)
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Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay

J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50512716
PNG
(CHEMBL4439662)
Show SMILES C[C@@H](CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C |r|
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)/t18-,28+/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...

Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
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