null

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)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 8 hits for monomerid = 50588463   

TargetAdenosine receptor A1(Rattus norvegicus (rat))TBA
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataKi:  31nMMore 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
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataKi:  37nMMore 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
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataKd:  17nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A3(Homo sapiens (Human))TBA
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataEC50:  162nMMore 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
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataKd:  18nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))TBA
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataEC50:  1.38E+3nMMore 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
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataEC50:  0.525nMMore 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
LigandPNGBDBM50588463(CHEMBL5174429)copy SMILES
Affinity DataEC50:  977nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HRBPubMed