BDBM50336205 (N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoromethyl-benzamide::CHEMBL1669669

SMILES: CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1

InChI Key: InChIKey=KLFVWQCQUXXLOU-UHFFFAOYSA-N

Data: 3 KI  3 IC50

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 = 50336205   

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
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of mouse TAAR1				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	942	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of rat TAAR1				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human TAAR1				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse TAAR1 assessed as reversal of endogenous beta-PEA effect				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TAAR1 assessed as reversal of endogenous beta-PEA effect				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50336205 ((N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro...) Show SMILES CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TAAR1 assessed as reversal of endogenous beta-PEA effect				Bioorg Med Chem Lett 21: 1227-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.075 BindingDB Entry DOI: 10.7270/Q25T3KRG
					More data for this Ligand-Target Pair