BDBM50541996 CHEMBL4633982

SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=WYKMWZDXNRNMFC-UHFFFAOYSA-N

Data  6 KI  3 IC50  4 EC50

  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 13 hits for monomerid = 50541996   

TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  960nMAssay Description:Binding affinity to adrenergic alpha2A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  1.48E+3nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  2.71E+3nMAssay Description:Binding affinity to adrenergic alpha2C receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  3.79E+3nMAssay Description:Binding affinity to DOR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  3.79E+3nMAssay Description:Binding affinity to DOR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataKi:  5.33E+3nMAssay Description:Binding affinity to adrenergic alpha2B receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity at CB2 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 14(Mus musculus)
Saint Louis University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataIC50:  246nMAssay Description:Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Saint Louis University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataIC50:  664nMAssay Description:Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at CB1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity at CB1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at CB2 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 14(Mus musculus)
Saint Louis University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50541996(CHEMBL4633982)
Affinity DataIC50:  246nMAssay Description:Inhibition of MRS4174 binding to mouse P2Y14R expressed in HEK293 cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed