BDBM50081200 CHEMBL3421983::US10544150, Compound 1

SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1

InChI Key InChIKey=DXQQRCJKVWAXDC-UHFFFAOYSA-N

Data  3 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50081200   

TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 3.16E+3nMAssay 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
TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 3.16E+3nMAssay 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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 1.50E+4nMAssay 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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 6.60E+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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 1.40E+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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataIC50: 2.70E+4nMAssay 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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataKi:  3.00E+3nMAssay Description:The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2020
Entry Details
Go to US Patent

TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataKi:  5.01E+3nMAssay 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
LigandPNGBDBM50081200(CHEMBL3421983 | US10544150, Compound 1)
Affinity DataKi:  5.01E+3nMAssay 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