Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2' and Ligand = 'BDBM50544627'   

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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+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
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544627 (CHEMBL4636980) Show SMILES COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C24H30FNO4/c1-28-16-17-30-22-5-3-4-21(24(22)29-2)23(27)19-11-14-26(15-12-19)13-10-18-6-8-20(25)9-7-18/h3-9,19H,10-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<5.01E+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