BDBM50081196 CHEMBL3422015::US10065961, Compound 13::US10683295, Compound 13::US10941151, Compound 13::US9475814, 13

SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1

InChI Key InChIKey=GYGRAOHPQAELJF-OAHLLOKOSA-N

Data  10 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 19 hits for monomerid = 50081196   

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

US Patent
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  3nMpH: 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  3nMAssay 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  3nMAssay 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  3nMAssay 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  32nMAssay 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  7.94E+3nMAssay 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
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataKi:  1.00E+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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | 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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataIC50:  8.10E+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
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataIC50:  2.20E+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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataIC50:  1.40E+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 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataIC50:  6.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081196(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Affinity DataIC50:  4.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed