BDBM50100420 (1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL26759

SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=ZPRWMVGQJGNLCO-UHFFFAOYSA-N

Data  7 KI  2 Kd

  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 9 hits for monomerid = 50100420   

TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi:  85nMAssay 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
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi:  273nMAssay 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
TargetHeat shock protein HSP 90-alpha(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetEndoplasmin(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Niddk

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi:  1.91E+3nMAssay Description:Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetEndoplasmin(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKd:  9.00E+3nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKi: >1.00E+4nMAssay 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
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
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
TargetHeat shock protein HSP 90-alpha(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50100420((1R,2R,3S,4R,5S)-4-(6-Amino-2-chloro-purin-9-yl)-1...)
Affinity DataKd:  2.00E+4nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed