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Found 11 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2' and Ligand = 'BDBM50544629'   
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
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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166n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting meth...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell co-expressing Gqo5 membranes incubated for 2 hrs by scintill...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting meth...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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174n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell co-expressing Gqo5 membranes incubated for 2 hrs by scintill...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of 5HT-induced intracellular Ca...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of 5HT-induced intracellular Ca...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 692n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of glutamate-induced intracellu...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of glutamate-induced intracellu...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization inc...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization inc...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50544629
PNG
(CHEMBL4635960)
Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C66H93ClFN5O15/c1-75-65-59(64(74)56-16-22-71(23-17-56)21-15-52-7-11-57(68)12-8-52)3-2-4-61(65)88-50-48-86-46-44-84-42-40-82-38-36-80-34-32-78-30-28-76-27-29-77-31-33-79-35-37-81-39-41-83-43-45-85-47-49-87-58-13-9-54(10-14-58)55-18-24-72(25-19-55)60-20-26-73-62(51-53-5-6-53)69-70-66(73)63(60)67/h2-4,7-14,20,26,53,55-56H,5-6,15-19,21-25,27-51H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization i...


J Med Chem 63: 9928-9949 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01058
BindingDB Entry DOI: 10.7270/Q2ZC86GW
More data for this
Ligand-Target Pair