Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2' and Ligand = 'BDBM50544631'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50544631 (CHEMBL4645193) Show SMILES COc1c(OCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C58H77ClFN5O11/c1-67-57-51(56(66)48-16-22-63(23-17-48)21-15-44-7-11-49(60)12-8-44)3-2-4-53(57)76-42-40-74-38-36-72-34-32-70-30-28-68-27-29-69-31-33-71-35-37-73-39-41-75-50-13-9-46(10-14-50)47-18-24-64(25-19-47)52-20-26-65-54(43-45-5-6-45)61-62-58(65)55(52)59/h2-4,7-14,20,26,45,47-48H,5-6,15-19,21-25,27-43H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/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