BDBM21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA::US20230364057, Compound 76

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

InChI Key InChIKey=IPSYPUKKXMNCNQ-PFHKOEEOSA-N

Data  106 KI  2 IC50  10 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 21221   

TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  1.40nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity for CHO cell membrane expressing human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[...More 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  2.30nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  2.90nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 mutant) receptorMore 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity for CHO cell membrane expressing human A3AR with GTPgammaS using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,...More 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  60nMAssay Description:Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)More 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
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataEC50:  2.80nMAssay Description:Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed