BDBM50112179 CHEMBL3608740::US10030025, Compound 20::US10836768, Cpd no 20::US11731974, Compound 20::US9422299, 20::US9987274, Compound 20

SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1

InChI Key InChIKey=HQFWWFCJWZXHFM-SNVBAGLBSA-N

Data  18 KI  13 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 5 hits for monomerid = 50112179   

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

US Patent
LigandPNGBDBM50112179(CHEMBL3608740 | US10030025, Compound 20 | US108367...)
Affinity DataKi:  60nMpH: 7.4Assay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112179(CHEMBL3608740 | US10030025, Compound 20 | US108367...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112179(CHEMBL3608740 | US10030025, Compound 20 | US108367...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112179(CHEMBL3608740 | US10030025, Compound 20 | US108367...)
Affinity DataIC50:  5.00E+4nMAssay Description:The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112179(CHEMBL3608740 | US10030025, Compound 20 | US108367...)
Affinity DataIC50:  93nMAssay Description:Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...More data for this Ligand-Target Pair
In DepthDetails US Patent