BDBM50309487 CHEMBL601515::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)cyclobutanecarboxamide

SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1

InChI Key InChIKey=CBCHGIXGPCYRNF-USMNODJMSA-N

Data  1 KI  1 IC50  2 EC50

  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 = 50309487   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309487(CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309487(CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Affinity DataEC50:  480nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309487(CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309487(CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Affinity DataIC50:  40nMAssay Description:Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed