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10 similar compounds to monomer 50169545

Compile data set for download or QSAR
Wt: 451.5
BDBM50169316
Wt: 461.5
BDBM50262049
Wt: 376.3
BDBM50169542
Wt: 377.3
BDBM50169543
Wt: 340.3
BDBM50169544
Wt: 358.3
BDBM50169541
Wt: 403.4
BDBM50169547
Wt: 415.5
BDBM50169548
Wt: 429.5
BDBM50169549
Wt: 431.5
BDBM50169552

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50169316,50262049,50169542,50169543,50169544,50169541,50169547,50169548,50169549,50169552   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50262049
PNG
(CHEMBL469026 | tert-butyl 4-(3-(5-amino-2-(furan-2...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C24H27N7O3/c1-24(2,3)34-23(32)30-11-9-29(10-12-30)17-7-4-6-16(14-17)18-15-20-27-21(19-8-5-13-33-19)28-31(20)22(25)26-18/h4-8,13-15H,9-12H2,1-3H3,(H2,25,26)
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0.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGluR5 expressed in cell membranes after 60 mins by liquid scintillation counting method


Bioorg Med Chem Lett 26: 5871-5876 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.014
BindingDB Entry DOI: 10.7270/Q2SB47RG
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50169316
PNG
(2-Furan-2-yl-7-[3-(4-phenyl-piperazin-1-ylmethyl)-...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28)
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4.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169544
PNG
(CHEMBL3805655)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1
Show InChI InChI=1S/C26H30N8O3/c1-18-16-31(11-13-36-18)17-24(35)33-9-7-32(8-10-33)20-5-2-4-19(14-20)21-15-23-29-25(22-6-3-12-37-22)30-34(23)26(27)28-21/h2-6,12,14-15,18H,7-11,13,16-17H2,1H3,(H2,27,28)
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169543
PNG
(CHEMBL3806078)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1
Show InChI InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor (unknown origin)


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 11n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 33n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a 10n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a 13n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 3.90n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 7.90n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 380n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 32n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a 5.80E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a 360n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 260n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 0.800n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a 970n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 160n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CC[C@H]12)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 1.40n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated fo...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated fo...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1CCCOc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated fo...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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n/an/an/an/a 1.10n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at human mGluR5A expressed in HEK293(ZF) cells co-expressing rat glutamate-aspartate transporter assessed as ...


Bioorg Med Chem Lett 26: 5871-5876 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.014
BindingDB Entry DOI: 10.7270/Q2SB47RG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50169543
PNG
(CHEMBL3806078)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1
Show InChI InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
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n/an/an/an/a 310n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at mGlu5A receptor in primary rat cortical astrocytes


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169544
PNG
(CHEMBL3805655)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1
Show InChI InChI=1S/C26H30N8O3/c1-18-16-31(11-13-36-18)17-24(35)33-9-7-32(8-10-33)20-5-2-4-19(14-20)21-15-23-29-25(22-6-3-12-37-22)30-34(23)26(27)28-21/h2-6,12,14-15,18H,7-11,13,16-17H2,1H3,(H2,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as induction of Ca2+ re...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as induction of Ca2+ re...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as induction of Ca2+ re...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169544
PNG
(CHEMBL3805655)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1
Show InChI InChI=1S/C26H30N8O3/c1-18-16-31(11-13-36-18)17-24(35)33-9-7-32(8-10-33)20-5-2-4-19(14-20)21-15-23-29-25(22-6-3-12-37-22)30-34(23)26(27)28-21/h2-6,12,14-15,18H,7-11,13,16-17H2,1H3,(H2,27,28)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169543
PNG
(CHEMBL3806078)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1
Show InChI InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
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n/an/an/an/a 6n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/an/an/a 2.60n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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n/an/an/an/a 0.830n/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent...


ACS Med Chem Lett 7: 289-93 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair