BDBM50100425 (1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL286739

SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=FPCPEWCTMNCASH-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50100425   

TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100425((1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  23nMAssay 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 Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100425((1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  884nMAssay 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 Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100425((1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  6.40E+3nMAssay Description:Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta sci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100425((1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi:  6.47E+3nMAssay Description:Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100425((1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2018
Entry Details Article
PubMed