BDBM50081293 CHEMBL3422007::US10065961, Compound 30::US10683295, Compound 30::US10941151, Compound 30::US9475814, 30

SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1

InChI Key InChIKey=QJNHNXFWOFSZPP-MRXNPFEDSA-N

Data  16 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 25 hits for monomerid = 50081293   

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

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMpH: 7.4Assay 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

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay Description:NK3: 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 vit...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay Description:NK3: 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 vit...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay Description:NK3: 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 vit...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMpH: 7.4Assay 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

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay 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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay 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(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  10nMAssay Description:NK3: 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 vit...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  3.00E+3nM ΔG°:  -7.53kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  5.93E+3nMAssay Description:NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  5.93E+3nM ΔG°:  -7.13kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  5.93E+3nMAssay Description:NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  1.72E+4nM ΔG°:  -6.50kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  1.72E+4nMAssay Description:NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  1.72E+4nMAssay Description:NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataKi:  1.72E+4nM ΔG°:  -6.50kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  10nMAssay 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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  4.50E+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 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  8.60E+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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  11nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  7.30E+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
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  5.70E+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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  11nMAssay 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 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  1.80E+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
LigandPNGBDBM50081293(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
Affinity DataIC50:  2.60E+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