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-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 119 hits for monomerid = 21221
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataEC50: 0.150nMAssay Description:Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production pre...More data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Agonist activity at human recombinant A3AR expressed in CHO cells assessed as inhibition of forskolin-induced stimulation of cAMP productionMore data for this Ligand-Target Pair
3D Structure (crystal)TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataEC50: 0.460nMAssay Description:Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation p...More data for this Ligand-Target Pair
Affinity DataEC50: 2.80nMAssay Description:Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptorMore data for this Ligand-Target Pair
Affinity DataEC50: 1.20nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMPMore data for this Ligand-Target Pair
Affinity DataEC50: 4.10nMAssay Description:Partial agonist activity at recombinant human A3AR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation measure...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataEC50: 2.94E+3nMAssay Description:Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Human)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataEC50: 191nMAssay Description:Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Human)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataEC50: 2.98E+4nMAssay Description:Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516...More data for this Ligand-Target Pair
Affinity DataEC50: 1.20nMAssay Description:Agonist activity at human A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin stimulated cAMP formation incubated for 45...More data for this Ligand-Target Pair
TargetDNA gyrase inhibitor(Escherichia coli (strain K12))
The Florida International University Board of Trustees
US Patent
The Florida International University Board of Trustees
US Patent
Affinity DataIC50: 2.53E+3nMAssay Description:SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, ...More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
National Cancer Institute (Ba, Mm, Sl, Sva)
Curated by ChEMBL
National Cancer Institute (Ba, Mm, Sl, Sva)
Curated by ChEMBL
Affinity DataEC50: 1.42E+3nMAssay Description:Activation of human ABCG2-mediated ATPase activity preincubated for 2 mins followed by ATP addition and measured after 20 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataKi: 0.180nMAssay Description:Displacement of [125I]N6-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.220nMAssay Description:The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...More data for this Ligand-Target Pair
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
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
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
Affinity DataKi: 0.330nMAssay Description:Binding affinity for rat Adenosine A3 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 0.330nMAssay Description:Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO c...More data for this Ligand-Target Pair
Affinity DataKi: 0.330nMAssay Description:Displacement of [125I]AB-MECA from adenosine A3 receptor from HEK293 cell membranesMore data for this Ligand-Target Pair
Affinity DataKi: 0.330nMAssay Description:Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.330nMAssay Description:Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
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
Affinity DataKi: 0.330nMAssay Description:Displacement of radioligand from rat A3 adenosine receptorMore data for this Ligand-Target Pair
Affinity DataKi: 0.380nMAssay Description:Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Human)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataKi: 0.430nMAssay Description:Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataKi: 0.637nMAssay Description:Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.900nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore data for this Ligand-Target Pair
Affinity DataKi: 1nMAssay Description:Binding affinity to A3AR (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 1nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.10nMAssay Description:Binding affinity for adenosine A3 receptor as inhibition of [125I]AB-MECA binding to human receptor expressed in HEK 293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Binding affinity towards human Adenosine A3 receptor stably transfected in CHO cells was determined using [125I]I-AB-MECA (1.0 nM) as radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Binding affinity to Adenosine receptor A3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay 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
Affinity DataKi: 1.40nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of radioligand from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay 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
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
Affinity DataKi: 1.40nMAssay Description:Binding affinity to human A3AR assessed as inhibitor constantMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay 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
Affinity DataKi: 1.5nMAssay Description:Binding affinity for CHO cell membrane expressing human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[...More data for this Ligand-Target Pair
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
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataKi: 2.20nMAssay Description:Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assayMore data for this Ligand-Target Pair