BDBM50342519 CHEMBL1771809::triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethylcarbamoyl)-2-(6-amino-3-iminio-4,5-disulfonato-3H-xanthen-9-yl)benzoate

SMILES Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O

InChI Key InChIKey=HHKJUHAIZLHJQI-UHFFFAOYSA-L

Data  1 KI  5 Kd

  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 6 hits for monomerid = 50342519   

TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKd:  42nMAssay Description:Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKd:  17nMAssay Description:Binding affinity to human A2A adenosine receptor expressed in HEK293 cells after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKd:  31nMAssay Description:Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKd:  50nMAssay Description:Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKd:  29nMAssay Description:Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2019
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50342519(triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2...)
Affinity DataKi:  111nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed