BDBM50100416 (1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::(1S,2R,3S,4R,5S)-4-(2-chloro-6-(methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-(2-amino-6-methylamino-9H-9-purinyl)-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL283057

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

InChI Key InChIKey=GOFNEDUSCHPEBQ-RGUAOFKASA-N

Data  13 KI  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 14 hits for monomerid = 50100416   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  2.20nMAssay 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
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  2.20nMAssay 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(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  6.20nMAssay 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(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  49nMAssay 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 A1(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  55nMAssay 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 A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  160nMAssay 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
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  160nMAssay 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(Rattus norvegicus (rat))
Niddk

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  805nMAssay 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(Rattus norvegicus (rat))
Niddk

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  805nMAssay Description:Displacement of radioligand from rat adenosine A1 receptorMore 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
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  2.10E+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 A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  2.10E+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 A2a(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of radioligand from rat adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  2.04E+4nMAssay 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(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100416((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataEC50:  2.55E+4nMAssay 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