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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50336205   

TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataKi:  0.900nMAssay Description:Inhibition of mouse TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataKi:  942nMAssay Description:Inhibition of rat TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataKi: >5.00E+3nMAssay Description:Inhibition of human TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataIC50: 28nMAssay Description:Antagonist activity at mouse TAAR1 assessed as reversal of endogenous beta-PEA effectMore data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataIC50: 4.54E+3nMAssay Description:Antagonist activity at rat TAAR1 assessed as reversal of endogenous beta-PEA effectMore data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50336205((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)
Affinity DataIC50: 7.49E+3nMAssay Description:Antagonist activity at human TAAR1 assessed as reversal of endogenous beta-PEA effectMore data for this Ligand-Target Pair