BDBM50081280 CHEMBL3422005::US9840508, Compound 2

SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1

InChI Key InChIKey=WXTKQYNUESPTFK-UHFFFAOYSA-N

Data  5 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50081280   

TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 158nMAssay Description:Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 5.60E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataIC50: 160nMAssay 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:
10/31/2019
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataKi:  100nMAssay 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:
10/31/2019
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
Affinity DataKi:  100nMAssay 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:
10/31/2019
Entry Details
Go to US Patent

TargetSubstance-P receptor(Human)
Oged

US Patent
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
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:
10/31/2019
Entry Details
Go to US Patent

TargetSubstance-K receptor(Human)
Oged

US Patent
LigandPNGBDBM50081280(CHEMBL3422005 | US9840508, Compound 2)
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:
10/31/2019
Entry Details
Go to US Patent