null

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12

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 10 hits for monomerid = 50588454   

TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  8.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  28nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  63nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  115nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKi:  427nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKd:  38nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataEC50:  2.34E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataEC50:  0.100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))TBA
LigandPNGBDBM50588454(CHEMBL5174052)copy SMILES
Affinity DataKd:  34nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed