BDBM50038370 2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methyl-ethylamine::CHEMBL6620::Racemic DOTFM

SMILES: COc1cc(c(OC)cc1CC(C)N)C(F)(F)F

InChI Key: InChIKey=WPGOTSORDNBMHP-UHFFFAOYSA-N

Data: 4 KI  1 IC50  1 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 6 hits for monomerid = 50038370   

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))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand				J Med Chem 44: 1003-10 (2001) BindingDB Entry DOI: 10.7270/Q27P8XND
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand				J Med Chem 44: 1003-10 (2001) BindingDB Entry DOI: 10.7270/Q27P8XND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy				Bioorg Med Chem 16: 4661-9 (2008) Article DOI: 10.1016/j.bmc.2008.02.033 BindingDB Entry DOI: 10.7270/Q25D8RNZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Tested for the binding affinity against the site labelled by the 5-hydroxytryptamine 1A receptor agonist [3H]- 8-OH-DPAT				J Med Chem 37: 4346-51 (1995) BindingDB Entry DOI: 10.7270/Q2HM57H0
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Chile Curated by ChEMBL					Assay Description Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension				J Med Chem 48: 2407-19 (2005) Article DOI: 10.1021/jm0493109 BindingDB Entry DOI: 10.7270/Q27080XX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50038370 (2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methy...) Show SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F Show InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	68.4	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor				J Med Chem 44: 1003-10 (2001) BindingDB Entry DOI: 10.7270/Q27P8XND
					More data for this Ligand-Target Pair