BDBM50196553 CHEMBL393295::ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamido)methyl)benzoate

SMILES CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

InChI Key InChIKey=NZSNQQHXVRYBPM-QVCZLDJNSA-N

Data  4 KI

  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 = 50196553   

TargetAdenosine receptor A1(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50196553(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]CPX from adenosine A1 receptor in DDT membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50196553(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Affinity DataKi:  92nMAssay Description:Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50196553(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]ZM241385 from A2A adenosine A2A receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50196553(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]ZM241385 from adenosine A2B receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed