BDBM50081198 CHEMBL3422018::US10065961, Compound 24::US9475814, 24

SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1

InChI Key InChIKey=DHRKQJQSMYHSPN-GFCCVEGCSA-N

Data  8 KI  16 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50081198   

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

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  3.20nMAssay 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
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  3.20nMAssay 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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Macaca mulatta)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Rattus norvegicus)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Rattus norvegicus)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Rattus norvegicus)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  22nMAssay Description:Binding affinity to rat NK3RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  1.26E+4nMAssay Description:Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataKi:  1.26E+4nMAssay Description:Displacement of [125I]-neurokinin A from human NK2R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  6.70E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells after 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  4nMAssay 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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  2nMAssay Description:The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  7.90E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  4nMAssay Description:Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  2nMAssay 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 DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  3.90E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  6.70E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  3.90E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081198(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed