null

SMILES CN(C)c1nc(-c2nccs2)c2sccc2n1

InChI Key InChIKey=IWTXHGKRHJCTKE-UHFFFAOYSA-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 = 50377501   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50377501(CHEMBL402464)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay Description:Binding affinity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270829PPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50377501(CHEMBL402464)copy SMILEScopy InChI
Affinity DataKi:  366nMAssay Description:Binding affinity at human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270829PPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50377501(CHEMBL402464)copy SMILEScopy InChI
Affinity DataKi:  1.56E+3nMAssay Description:Binding affinity at human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270829PPubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50377501(CHEMBL402464)copy SMILEScopy InChI
Affinity DataKi:  1.76E+3nMAssay Description:Binding affinity at human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270829PPubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50377501(CHEMBL402464)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q270829PPubMed