null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50220136   

TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataKi:  0.0794nMAssay Description:Binding affinity to NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6T1GPubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2959JP4PubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P0ZM5PubMedDrugBank
TargetSubstance-P receptor(Rattus norvegicus (rat))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M9690PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2V75PubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28915N5PubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Antagonist activity at NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79CWCPubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5HBFPubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QQ0PubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21J99DZPubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4HZ7PubMedDrugBank
TargetSubstance-P receptor(Homo sapiens (Human))
Universit£ de Montr£al

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:compounds were evaluated for inhibitory activity against human Tachykinin receptor 1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G73CZMPubMedDrugBank