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PubMed code 15990306

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179030
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1
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PubMed
54.1n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179047
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
Show InChI InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1
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107n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50370448
PNG
(CHEMBL1791443)
Show SMILES CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C23H27N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,21-22,24,33-35H,3H2,1-2H3,(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,21?,22+/m0/s1
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155n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50370449
PNG
(CHEMBL609340)
Show SMILES CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12
Show InChI InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21?/m1/s1
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405n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%