BDBM50163012 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-chlorobenzylamino)-2-iodo-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175444

SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12

InChI Key InChIKey=QCATUPVGQKLFCK-KZOVSVDNSA-N

Data  9 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 9 hits for monomerid = 50163012   

TargetAdenosine receptor A3(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [125I]N6-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  3.60nMAssay Description:Displacement of radioligand from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  3.60nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  3.90nMAssay Description:Displacement of radioligand from rat A3 adenosine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  3.90nMAssay Description:Inhibition of [125I]-AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  210nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of radioligand from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition of [3H]-R-PIA binding to human Adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163012((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-iodo...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of radioligand from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed