BDBM50603613 CHEMBL5169644

SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC

InChI Key InChIKey=ZPZDGGXNORFAFM-YOLPVHPBSA-N

Data  8 KI  1 IC50  1 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 10 hits for monomerid = 50603613   

TargetKappa-type opioid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi:  207nMAssay Description:Binding affinity to KOR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi:  210nMAssay Description:Binding affinity towards human kappa opioid receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi:  483nMAssay Description:Binding affinity towards human adenosine A3 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi:  483nMAssay Description:Binding affinity to human adenosine A3 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi:  627nMAssay Description:Binding affinity to DOR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Mus musculus)
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity towards mouse adenosine A3 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetMu-type opioid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to MOR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Mus musculus)
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to mouse adenosine A3 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataEC50:  13nMAssay Description:Activation of human ABCG2-mediated ATPase activity preincubated for 2 mins followed by ATP addition and measured after 20 mins by colorimetric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603613(CHEMBL5169644)
Affinity DataIC50:  440nMAssay Description:Inhibition of human ABCG2 in human R5 cells assessed as inhibition of mitoxantrone efflux measured by flow cytometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed