BDBM50100418 (1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL27376

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

InChI Key InChIKey=AGCJNWSEWOWGRS-DDDALXFXSA-N

Data  20 KI  1 Kd  1 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 22 hits for monomerid = 50100418   

TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  0.800nMAssay 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(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.10nMAssay Description:Displacement of radioligand from rat A3 adenosine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.10nMAssay 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 A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.5nMAssay Description:Ability to displace specific radioligand [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.5nMAssay 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(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.5nMAssay Description:Displacement of radioligand from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  7.30nMAssay 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(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  84nMAssay Description:Displacement of radioligand from rat adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  84nMAssay Description:Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 receptor in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  136nMAssay 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 A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  136nMAssay 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(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  136nMAssay Description:Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  784nMAssay Description:Displacement of radioligand from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  784nMAssay Description:Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  784nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.40E+3nMAssay Description:Binding affinity to human adenosine A3 receptor measured by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.66E+3nMAssay Description:Displacement of radioligand from rat adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  1.66E+3nMAssay Description:Ability to displace specific radioligand [3H]-CGS- 21680 binding at A2A receptors (rA2A) in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKi:  5.35E+3nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataKd:  0.170nMAssay Description:Binding affinity to rat adenosine A3 receptor measured by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100418((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...)
Affinity DataEC50:  5.25E+3nMAssay Description:Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, by activation of human A3AR receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed