null

SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(F)s1)C(=O)NC

InChI Key

  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 4 hits for monomerid = 50561598   

TargetAdenosine receptor A3(Homo sapiens (Human))TBA
LigandPNGBDBM50561598(CHEMBL4791368)copy SMILES
Affinity DataKi:  1.10nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adrenergic A3 receptor expressed in CHO cell membranes asses...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C50H1PubMed
TargetAdenosine receptor A3(Mus musculus)TBA
LigandPNGBDBM50561598(CHEMBL4791368)copy SMILES
Affinity DataKi:  11nMAssay Description:Displacement of [125I]AB-MECA from mouse adrenergic A3 receptor expressed in HEK293 cell membranes assessed as inhibitor constant by radio ligand bin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C50H1PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))TBA
LigandPNGBDBM50561598(CHEMBL4791368)copy SMILES
Affinity DataKi:  838nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from human A2A receptor expressed in HEK293 cells assessed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C50H1PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50561598(CHEMBL4791368)copy SMILES
Affinity DataKi:  3.98E+3nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1AR receptor expressed in HEK293 cells assessed as inhibitory constant by radio ligand ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C50H1PubMed