null

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12

InChI Key InChIKey=MSANOCNSWDJIJO-IMIIHFCZSA-N

  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 5 hits for monomerid = 50205587   

TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50205587((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)copy SMILEScopy InChI
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78G14PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50205587((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)copy SMILEScopy InChI
Affinity DataKi:  36.4nMAssay Description:Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78G14PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50205587((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78G14PubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50205587((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)copy SMILEScopy InChI
Affinity DataEC50:  9.53E+7nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R49RNVPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50205587((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)copy SMILEScopy InChI
Affinity DataEC50:  10.5nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP productionMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78G14PubMed