BDBM50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732

SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=IRIUFVPPSHYZRM-UHFFFAOYSA-N

Data  28 KI  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50180197   

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from rat A3AR transfected in CHO cell membrane assessed as inhibition constant incubated for 1 hr by gamma counter meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.820nMAssay Description:Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed