BDBM50544628 CHEMBL4638006

SMILES: COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC

InChI Key: InChIKey=ALTAMTJSSZBUFX-UHFFFAOYSA-N

Data: 6 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 20 hits for monomerid = 50544628   

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 (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.520	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 HT2A receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting method				J Med Chem 63: 9928-9949 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.525	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 HT2A receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting method				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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	8.70	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	8.70	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)
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.810	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.813	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 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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.20	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.20	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.5	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.40	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	24	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))	BDBM50544628 (CHEMBL4638006) Show SMILES COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	24	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