BDBM50081399 CHEMBL3422016::US10065961, Compound 19::US10683295, Compound 19::US10941151, Compound 19::US9475814, 19

SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1

InChI Key InChIKey=WZHKQWSHHGMARO-CQSZACIVSA-N

Data  5 KI  12 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 17 hits for monomerid = 50081399   

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

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataKi:  6nMAssay 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))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataKi:  6nMpH: 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))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataKi:  6nMAssay 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))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataKi:  6nMAssay 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))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataKi:  6.30nMAssay 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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  8.00E+3nMAssay 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 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  8.00E+3nMAssay 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
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.70E+4nMAssay 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
TargetTranscriptional regulator ERG(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.70E+4nMAssay Description:The human Ether-a-go-go Related Gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in car...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  8nMAssay 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
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.70E+4nMAssay Description:hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  4.20E+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
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.10E+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
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  7.90nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.70E+4nMAssay Description:The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  8nMAssay 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 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081399(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
Affinity DataIC50:  1.80E+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