BDBM50366766 CHEMBL611562

SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12

InChI Key InChIKey=ZRVXKIGWMZOKNP-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50366766   

TargetAdenosine receptor A3(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50366766(CHEMBL611562)
Affinity DataKi:  28nMAssay Description:Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50366766(CHEMBL611562)
Affinity DataKi:  6.10E+3nMAssay Description:Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50366766(CHEMBL611562)
Affinity DataKi:  6.35E+3nMAssay Description:Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed