BDBM50179180 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL331291

SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key InChIKey=ZXPDGTGMZKIESV-UHFFFAOYSA-N

Data  11 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 11 hits for monomerid = 50179180   

TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  0.680nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  3.5nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  3.70nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  3.70nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  5.80nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from rat A3A adenosine receptor expressed in CHO cell membranes after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  12nMAssay Description:Inhibition of 5HT2B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  18.3nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  1.55E+3nMAssay Description:Inhibition of sigma receptor 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  3.25E+3nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50179180((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...)
Affinity DataKi:  3.25E+3nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed