BDBM50267632 4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluorophenylethyl)-piperidine::CHEMBL489624

SMILES: COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1

InChI Key: InChIKey=QSNQXCLTDBTOIU-UHFFFAOYSA-N

Data: 1 KI  8 IC50  6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50267632   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 glutamate-induced intracellu...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.20	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.10	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)
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubat...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubat...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Positive modulator activity at human mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilizat...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Positive modulator activity at human mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilizat...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	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 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization incubated...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	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 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization incubated...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50267632 (4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...) Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 glutamate-induced intracellu...				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair