BDBM50603612 CHEMBL5171777

SMILES COc1cc(CCNC2=NC(=NC3=NC=NC23)C#Cc2ccc(Cl)s2)ccc1O

InChI Key InChIKey=MPFMHAAXLGXWPP-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50603612   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603612(CHEMBL5171777)
Affinity DataKi:  6.82E+3nMAssay Description:Binding affinity towards human adenosine A3 receptorMore 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
LigandPNGBDBM50603612(CHEMBL5171777)
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
LigandPNGBDBM50603612(CHEMBL5171777)
Affinity DataIC50:  4.98E+3nMAssay 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