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 = 'BDBM50544619'   

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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	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 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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	813	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	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))	BDBM50544619 (CHEMBL4639821) Show SMILES COc1c(OCCOCCOCCOCCOc2ccc(cc2)C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C50H61ClFN5O7/c1-59-49-43(48(58)40-16-22-55(23-17-40)21-15-36-7-11-41(52)12-8-36)3-2-4-45(49)64-34-32-62-30-28-60-27-29-61-31-33-63-42-13-9-38(10-14-42)39-18-24-56(25-19-39)44-20-26-57-46(35-37-5-6-37)53-54-50(57)47(44)51/h2-4,7-14,20,26,37,39-40H,5-6,15-19,21-25,27-35H2,1H3	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