BDBM50583646 CHEMBL5078671

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)ncnc12

InChI Key InChIKey=NTVVEOMSKFSMRQ-CKZSZTANSA-N

Data  2 Kd  2 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 = 50583646   

TargetAdenosine receptor A1(Homo sapiens (Human))
Monash University

Curated by ChEMBL
LigandPNGBDBM50583646(CHEMBL5078671)
Affinity DataKd:  676nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Monash University

Curated by ChEMBL
LigandPNGBDBM50583646(CHEMBL5078671)
Affinity DataEC50:  1.70nMAssay Description:Agonist activity at human A1 adenosine receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Monash University

Curated by ChEMBL
LigandPNGBDBM50583646(CHEMBL5078671)
Affinity DataEC50:  3.30nMAssay Description:Agonist activity at A3 adenosine receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Monash University

Curated by ChEMBL
LigandPNGBDBM50583646(CHEMBL5078671)
Affinity DataKd:  1.78E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed