BDBM50112183 CHEMBL3608684::US10214533, Compound 1::US9969738, 1

SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1

InChI Key InChIKey=UHNVQJPBRBMNNN-UHFFFAOYSA-N

Data  9 KI  8 IC50

  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 17 hits for monomerid = 50112183   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi:  100nMAssay Description:Binding affinity to human recombinant NK3R by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi:  140nMAssay Description:The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi:  140nMAssay Description:NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi:  140nMAssay Description:NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Rattus norvegicus)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi:  2.03E+3nMAssay Description:Binding affinity to rat NK3RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi: >3.00E+4nMAssay Description:NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataKi: >3.00E+4nMAssay Description:NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50:  158nMAssay Description:Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50:  5.00E+4nMAssay Description:The determination of plasma protein binding (PPB) of a compound is enabled by equilibrium dialysis, an accepted and standard method for reliable esti...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50:  5.60E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50:  8.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112183(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed