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Compile Data Set for Download or QSAR

Found 255 hits of ec50 data for polymerid = 2135   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451378
PNG
(CHEMBL39106)
Show SMILES I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1
Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H
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n/an/an/an/a 0n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A3 receptor

Bioorg Med Chem Lett 12: 1563-6 (2002)


BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50518050
PNG
(CHEMBL4464176)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)c1cccc(Cl)c1)C(=O)NC |r|
Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-7-11(20)13(14(29)15(20)30)28-8-24-12-16(25-19(22)26-17(12)28)27(2)10-5-3-4-9(21)6-10/h3-6,8,11,13-15,29-30H,7H2,1-2H3,(H,23,31)/t11-,13-,14+,15+,20+/m1/s1
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n/an/an/an/a 0.0631n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 0.117n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50518050
PNG
(CHEMBL4464176)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)c1cccc(Cl)c1)C(=O)NC |r|
Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-7-11(20)13(14(29)15(20)30)28-8-24-12-16(25-19(22)26-17(12)28)27(2)10-5-3-4-9(21)6-10/h3-6,8,11,13-15,29-30H,7H2,1-2H3,(H,23,31)/t11-,13-,14+,15+,20+/m1/s1
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n/an/an/an/a 0.158n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as increase in ERK1/2 phosphorylation after 5 mins by alphascre...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389145
PNG
(CHEMBL2064653)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 0.251n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as increase in ERK1/2 phosphorylation after 5 mins by alphascre...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389150
PNG
(CHEMBL2064660)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H29ClN6O3/c1-36-33(44)34-17-25(34)28(29(42)30(34)43)41-19-38-27-31(37-18-21-6-5-9-24(35)16-21)39-26(40-32(27)41)15-12-20-10-13-23(14-11-20)22-7-3-2-4-8-22/h2-11,13-14,16,19,25,28-30,42-43H,17-18H2,1H3,(H,36,44)(H,37,39,40)/t25-,28-,29+,30+,34+/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50518050
PNG
(CHEMBL4464176)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)c1cccc(Cl)c1)C(=O)NC |r|
Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-7-11(20)13(14(29)15(20)30)28-8-24-12-16(25-19(22)26-17(12)28)27(2)10-5-3-4-9(21)6-10/h3-6,8,11,13-15,29-30H,7H2,1-2H3,(H,23,31)/t11-,13-,14+,15+,20+/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincuba...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50597192
PNG
(CHEMBL5175347)
Show SMILES Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c12
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n/an/an/an/a 0.316n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389148
PNG
(CHEMBL2064657)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincuba...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50069857
PNG
(CHEMBL3407783)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1cccs1)C(=O)NC |r|
Show InChI InChI=1S/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/m1/s1
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n/an/an/an/a 0.420n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production aft...

J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50597194
PNG
(CHEMBL5197567)
Show SMILES Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1
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n/an/an/an/a 0.468n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389145
PNG
(CHEMBL2064653)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 0.501n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as increase in ERK1/2 phosphorylation after 5 mins by alphascre...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50597195
PNG
(CHEMBL5183118)
Show SMILES Cn1nc2c(nncc2c1-c1ccccc1)N1CCOCC1
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n/an/an/an/a 0.537n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 0.631n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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n/an/an/an/a 0.670n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor

J Med Chem 43: 2196-203 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor

J Med Chem 43: 2196-203 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389145
PNG
(CHEMBL2064653)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 0.794n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincuba...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50597190
PNG
(CHEMBL5185411)
Show SMILES CC(C)c1nn(C)c2c(NCc3ccccc3)nncc12
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n/an/an/an/a 0.912n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50597193
PNG
(CHEMBL5203865)
Show SMILES CC(C)c1n(C)nc2c(NCc3ccccc3)nncc12
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n/an/an/an/a 1.10n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00052
BindingDB Entry DOI: 10.7270/Q20G3Q6Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP

Bioorg Med Chem Lett 18: 1612-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389148
PNG
(CHEMBL2064657)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production inc...

J Med Chem 55: 4847-60 (2012)


Article DOI: 10.1021/jm300396n
BindingDB Entry DOI: 10.7270/Q2765GCG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Agonist activity at human A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin stimulated cAMP formation incubated for 45...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00239
BindingDB Entry DOI: 10.7270/Q2PC367C
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21237
PNG
(2-mercaptopyrimidine analogue, 5p | N-[6-(2-phenyl...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
Show InChI InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
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 1.40n/an/an/a 1.25n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...

J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118799
PNG
(4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydrox...)
Show SMILES CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)
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n/an/an/an/a 1.40n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor

J Med Chem 45: 4471-84 (2002)


BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50069858
PNG
(CHEMBL3407774)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1cnccn1)C(=O)NC |r|
Show InChI InChI=1S/C20H20N8O3/c1-21-17-13-18(27-12(26-17)4-3-10-8-23-5-6-24-10)28(9-25-13)14-11-7-20(11,19(31)22-2)16(30)15(14)29/h5-6,8-9,11,14-16,29-30H,7H2,1-2H3,(H,22,31)(H,21,26,27)/t11-,14-,15+,16+,20+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production aft...

J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116878
PNG
(CHEMBL3612940)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C22H22ClN5O3S/c1-3-25-14-8-11(4-5-12-6-7-15(23)32-12)27-20-16(14)26-10-28(20)17-13-9-22(13,21(31)24-2)19(30)18(17)29/h6-8,10,13,17-19,29-30H,3,9H2,1-2H3,(H,24,31)(H,25,27)/t13-,17-,18+,19+,22+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP production

ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118800
PNG
(CHEMBL369744 | N-[6-(4-Amino-3-iodo-benzylamino)-9...)
Show SMILES CNCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
Show InChI InChI=1S/C20H25IN8O4/c1-23-7-14(30)24-6-13-16(31)17(32)20(33-13)29-9-28-15-18(26-8-27-19(15)29)25-5-10-2-3-12(22)11(21)4-10/h2-4,8-9,13,16-17,20,23,31-32H,5-7,22H2,1H3,(H,24,30)(H,25,26,27)/t13-,16-,17-,20-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor

J Med Chem 45: 4471-84 (2002)


BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
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 2n/an/an/a 1.84n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...

J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50215116
PNG
(CHEMBL393362 | N6-(3-iodobenzyl)-2'-O-methyladenos...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Santaris Pharma A/S

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor after 15 to 30 mins

Bioorg Med Chem 15: 5440-7 (2007)


Article DOI: 10.1016/j.bmc.2007.05.056
BindingDB Entry DOI: 10.7270/Q2086515
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50266651
PNG
(CHEMBL4081876)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
Show InChI InChI=1S/C19H20BrN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of ad...

J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
BindingDB Entry DOI: 10.7270/Q2CJ8GZX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50266649
PNG
(CHEMBL4071338)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
Show InChI InChI=1S/C19H20ClN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of ad...

J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
BindingDB Entry DOI: 10.7270/Q2CJ8GZX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50266652
PNG
(CHEMBL4078479)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C19H20IN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of ad...

J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
BindingDB Entry DOI: 10.7270/Q2CJ8GZX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
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 1.80n/an/an/a 2.70n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...

J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50237784
PNG
(CHEMBL4088081)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O3Se/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as decrease in forskolin induced cAMP formation preincubated for 10 m...

J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50422942
PNG
(CHEMBL414055)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:45|
Show InChI InChI=1S/C45H51BF2N10O7S/c1-2-49-44(63)41-39(61)40(62)45(65-41)56-28-55-38-42(53-27-54-43(38)56)52-23-7-6-22-50-36(59)10-4-3-5-21-51-37(60)26-64-33-18-12-29(13-19-33)11-14-30-15-16-31-25-32-17-20-34(35-9-8-24-66-35)58(32)46(47,48)57(30)31/h8-9,11-20,24-25,27-28,39-41,45,61-62H,2-7,10,21-23,26H2,1H3,(H,49,63)(H,50,59)(H,51,60)(H,52,53,54)/b30-14+
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n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at human A3 adenosine receptor expressed in Flp-In-CHO cells assessed as stimulation of cAMP accumulation by competitive binding ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor

J Med Chem 45: 4471-84 (2002)


BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50583646
PNG
(CHEMBL5078671)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)ncnc12 |r,c:59,61,t:56|
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n/an/an/an/a 3.30n/an/an/an/a


TBA

Assay Description
Agonist activity at A3 adenosine receptor (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50106537
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Show SMILES CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)
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n/an/an/an/a 3.30n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor

J Med Chem 45: 4471-84 (2002)


BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122926
PNG
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50266662
PNG
(CHEMBL4087306)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r|
Show InChI InChI=1S/C16H21N9O3/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(28-12)24-7-20-9-13(17-5-8-3-4-8)18-6-19-15(9)24/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,19)/t10-,11+,12-,16+/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of ad...

J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
BindingDB Entry DOI: 10.7270/Q2CJ8GZX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor

J Med Chem 45: 4471-84 (2002)


BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50218905
PNG
(2,2-diphenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinoli...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35)
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n/an/an/an/a 3.80n/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation

J Med Chem 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human A3AR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation measure...

J Med Chem 63: 4334-4348 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50150766
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay

Bioorg Med Chem Lett 20: 1219-24 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50264215
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production tre...

J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50389148
PNG
(CHEMBL2064657)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincuba...

J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor

J Med Chem 43: 2196-203 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
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