BDBM21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA::US20230364057, Compound 76

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

InChI Key InChIKey=IPSYPUKKXMNCNQ-PFHKOEEOSA-N

Data  106 KI  2 IC50  10 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 18 hits for monomerid = 21221   

TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  0.220nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  0.220nMAssay Description:Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  0.220nMAssay Description:Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  0.330nMAssay Description:Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  220nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  401nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  401nMAssay Description:Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  401nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  470nMAssay Description:Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  820nMAssay Description:Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi:  5.36E+3nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM21221((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cyclase activi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed