BDBM50422942 CHEMBL414055

SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12

InChI Key InChIKey=LODSCYWXMGXOOZ-UHFFFAOYSA-N

Data  3 Kd  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 4 hits for monomerid = 50422942   

TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50422942(CHEMBL414055)
Affinity DataEC50:  2.70nMAssay Description:Agonist activity at human A3 adenosine receptor expressed in Flp-In-CHO cells assessed as stimulation of cAMP accumulation by competitive binding ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50422942(CHEMBL414055)
Affinity DataKd:  158nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Monash University

Curated by ChEMBL
LigandPNGBDBM50422942(CHEMBL414055)
Affinity DataKd:  891nMAssay Description:Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50422942(CHEMBL414055)
Affinity DataKd:  1.02E+3nMAssay Description:Binding affinity to N-terminal NLuc tagged human A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed