BDBM50088428 (1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-1-hydroxymethyl-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL27809

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

InChI Key InChIKey=ISZYFLVJJCPYGN-UHFFFAOYSA-N

Data  10 KI  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50088428   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataEC50:  0.670nMAssay Description:Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataEC50:  684nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding to adenosine A1 receptor of rat cerebral cortical membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataEC50:  142nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells expressed as KiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  65nMAssay Description:Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  141nMAssay 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 Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  141nMAssay Description:Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Rat)
Niddk

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  732nMAssay Description:Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Rat)
Niddk

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  732nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088428((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Affinity DataKi:  4.10E+4nMAssay Description:Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed