BDBM50220136 3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-1,4-oxazinan-4-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-5-one::5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2H-1,2,4-triazol-3(4H)-one::5-[(2R,3S)-2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::APREPITANT::CHEMBL1471::Emend::MK-0869::MK-869::US10011568, Aprepitant::US10100030, Aprepitant
SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key InChIKey=ATALOFNDEOCMKK-OITMNORJSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 24 hits for monomerid = 50220136
Affinity DataKi: 0.0794nMAssay Description:Binding affinity to NK1 receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 454nMAssay Description:Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...More data for this Ligand-Target Pair
Affinity DataIC50: 46nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of NK1 receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Antagonist activity at NK1 receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 0.100nMAssay Description:Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligandMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMpH: 7.4 T: 25°CAssay Description:A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMpH: 7.4 T: 25°CAssay Description:A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataEC50: >2.00E+5nMAssay Description:Activation of full length PKG1alpha (unknown origin) using Glass-tide peptide substrate incubated for 120 mins followed by addition of ADP-Glo max re...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at NK1R (unknown origin) in presence of endogenous SP ligand preincubated for 10 mins followed by 30 min incubation with antagoni...More data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Antagonist activity at human neurokinin receptor 1 assessed as inhibition of 125I-substance P binding to receptor by radioligand binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]-labeled SP from human NK-1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0900nMAssay Description:compounds were evaluated for inhibitory activity against human Tachykinin receptor 1More data for this Ligand-Target Pair