BDBM50112243 CHEMBL3608682::US10030025, Compound 28::US10836768, Cpd no 28::US11731974, Compound 28::US20240199618, Compound 28::US9422299, 28::US9987274, Compound 28

SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(F)cc1

InChI Key InChIKey=MRAPDPPDTOESHB-UHFFFAOYSA-N

Data  21 KI  9 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 30 hits for monomerid = 50112243   

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 160nMAssay Description:Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
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TargetCytochrome P450 3A4(Human)
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Curated by ChEMBL
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
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 Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 8.60E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 160nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2018
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataIC50: 160nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMpH: 7.4Assay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay 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 Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay 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 Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay Description:The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist3 H-SB222200 was assessed by an in vitro ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2023
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay Description:The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist3 H-SB222200 was assessed by an in vitro ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2023
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMAssay Description:Human NK-3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2020
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  110nMpH: 7.4Assay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2018
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi:  126nMAssay Description:Binding affinity to human recombinant NK3R by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nMAssay Description:Human 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 rece...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2020
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nMAssay Description:Human NK-2 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 Depth
Date in BDB:
4/30/2020
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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 Depth
Date in BDB:
12/31/2018
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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 Depth
Date in BDB:
12/31/2018
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
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 Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
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 Depth
Date in BDB:
6/30/2021
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
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 Depth
Date in BDB:
9/26/2023
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
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 Depth
Date in BDB:
9/26/2023
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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 Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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 Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nMAssay Description:Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 ul of membrane suspension (ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Ogeda

US Patent
LigandPNGBDBM50112243(CHEMBL3608682 | US9422299, 28 | US10030025, Compou...)
Affinity DataKi: >3.00E+4nMAssay Description:Binding assays consisted of 25 ul of membrane suspension (approximately 3.75 ug of protein/well in a 96 well plate), 50 ul of compound or reference l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent