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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'carrion' and Initial = 'md'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(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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12.5n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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15.1n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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15.3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins


J Med Chem 55: 7719-35 (2012)


Article DOI: 10.1021/jm3007504
BindingDB Entry DOI: 10.7270/Q2H41SK5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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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18.3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202575
PNG
(1-deoxy-1-{2-chloro-6-[N'-(2-thiophen-2-yl-acetyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-2-20-16(30)13-11(28)12(29)17(31-13)26-7-21-10-14(22-18(19)23-15(10)26)25-24-9(27)6-8-4-3-5-32-8/h3-5,7,11-13,17,28-29H,2,6H2,1H3,(H,20,30)(H,24,27)(H,22,23,25)/t11-,12+,13-,17+/m0/s1
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25n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
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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34.6n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202575
PNG
(1-deoxy-1-{2-chloro-6-[N'-(2-thiophen-2-yl-acetyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-2-20-16(30)13-11(28)12(29)17(31-13)26-7-21-10-14(22-18(19)23-15(10)26)25-24-9(27)6-8-4-3-5-32-8/h3-5,7,11-13,17,28-29H,2,6H2,1H3,(H,20,30)(H,24,27)(H,22,23,25)/t11-,12+,13-,17+/m0/s1
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62n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202572
PNG
(1-deoxy-1-{2-chloro-6-[N'-(1-H-pyrrole-2-carbonyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12
Show InChI InChI=1S/C17H19ClN8O5/c1-2-19-15(30)11-9(27)10(28)16(31-11)26-6-21-8-12(22-17(18)23-13(8)26)24-25-14(29)7-4-3-5-20-7/h3-6,9-11,16,20,27-28H,2H2,1H3,(H,19,30)(H,25,29)(H,22,23,24)/t9-,10+,11-,16+/m0/s1
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610n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202575
PNG
(1-deoxy-1-{2-chloro-6-[N'-(2-thiophen-2-yl-acetyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-2-20-16(30)13-11(28)12(29)17(31-13)26-7-21-10-14(22-18(19)23-15(10)26)25-24-9(27)6-8-4-3-5-32-8/h3-5,7,11-13,17,28-29H,2,6H2,1H3,(H,20,30)(H,24,27)(H,22,23,25)/t11-,12+,13-,17+/m0/s1
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633n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202571
PNG
(1-deoxy-1-{6-[N'-(5-methyl-furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12
Show InChI InChI=1S/C18H21N7O6/c1-3-19-17(29)13-11(26)12(27)18(31-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)30-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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700n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202565
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-31-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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737n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202574
PNG
(1-deoxy-1-{6-[N'-(5-bromo-furan-2-carbonyl)-hydraz...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12
Show InChI InChI=1S/C17H18BrN7O6/c1-2-19-16(29)12-10(26)11(27)17(31-12)25-6-22-9-13(20-5-21-14(9)25)23-24-15(28)7-3-4-8(18)30-7/h3-6,10-12,17,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,20,21,23)/t10-,11+,12-,17+/m0/s1
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780n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202568
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-3-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-3-4-31-5-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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933n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202570
PNG
(1-deoxy-1-{6-[N'-(furan-2-carbonyl)-hydrazino]-9H-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H19N7O6/c1-2-18-16(28)12-10(25)11(26)17(30-12)24-7-21-9-13(19-6-20-14(9)24)22-23-15(27)8-4-3-5-29-8/h3-7,10-12,17,25-26H,2H2,1H3,(H,18,28)(H,23,27)(H,19,20,22)/t10-,11+,12-,17+/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202578
PNG
(1-deoxy-1-{6-[N'-(5-methyl-thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12
Show InChI InChI=1S/C18H21N7O5S/c1-3-19-17(29)13-11(26)12(27)18(30-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)31-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202574
PNG
(1-deoxy-1-{6-[N'-(5-bromo-furan-2-carbonyl)-hydraz...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12
Show InChI InChI=1S/C17H18BrN7O6/c1-2-19-16(29)12-10(26)11(27)17(31-12)25-6-22-9-13(20-5-21-14(9)25)23-24-15(28)7-3-4-8(18)30-7/h3-6,10-12,17,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,20,21,23)/t10-,11+,12-,17+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202570
PNG
(1-deoxy-1-{6-[N'-(furan-2-carbonyl)-hydrazino]-9H-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H19N7O6/c1-2-18-16(28)12-10(25)11(26)17(30-12)24-7-21-9-13(19-6-20-14(9)24)22-23-15(27)8-4-3-5-29-8/h3-7,10-12,17,25-26H,2H2,1H3,(H,18,28)(H,23,27)(H,19,20,22)/t10-,11+,12-,17+/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202566
PNG
(1-deoxy-1-{2-chloro-6-[N'-(3-methyl-thiophene-2-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3sccc3C)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-3-20-15(29)11-9(27)10(28)17(31-11)26-6-21-8-13(22-18(19)23-14(8)26)24-25-16(30)12-7(2)4-5-32-12/h4-6,9-11,17,27-28H,3H2,1-2H3,(H,20,29)(H,25,30)(H,22,23,24)/t9-,10+,11-,17+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202571
PNG
(1-deoxy-1-{6-[N'-(5-methyl-furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12
Show InChI InChI=1S/C18H21N7O6/c1-3-19-17(29)13-11(26)12(27)18(31-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)30-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202565
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-31-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202578
PNG
(1-deoxy-1-{6-[N'-(5-methyl-thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12
Show InChI InChI=1S/C18H21N7O5S/c1-3-19-17(29)13-11(26)12(27)18(30-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)31-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202564
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-methyl-thiophene-2-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-3-20-16(30)12-10(27)11(28)17(31-12)26-6-21-9-13(22-18(19)23-14(9)26)24-25-15(29)8-5-4-7(2)32-8/h4-6,10-12,17,27-28H,3H2,1-2H3,(H,20,30)(H,25,29)(H,22,23,24)/t10-,11+,12-,17+/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202572
PNG
(1-deoxy-1-{2-chloro-6-[N'-(1-H-pyrrole-2-carbonyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12
Show InChI InChI=1S/C17H19ClN8O5/c1-2-19-15(30)11-9(27)10(28)16(31-11)26-6-21-8-12(22-17(18)23-13(8)26)24-25-14(29)7-4-3-5-20-7/h3-6,9-11,16,20,27-28H,2H2,1H3,(H,19,30)(H,25,29)(H,22,23,24)/t9-,10+,11-,16+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202568
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-3-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-3-4-31-5-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202566
PNG
(1-deoxy-1-{2-chloro-6-[N'-(3-methyl-thiophene-2-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3sccc3C)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-3-20-15(29)11-9(27)10(28)17(31-11)26-6-21-8-13(22-18(19)23-14(8)26)24-25-16(30)12-7(2)4-5-32-12/h4-6,9-11,17,27-28H,3H2,1-2H3,(H,20,29)(H,25,30)(H,22,23,24)/t9-,10+,11-,17+/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202564
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-methyl-thiophene-2-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-3-20-16(30)12-10(27)11(28)17(31-12)26-6-21-9-13(22-18(19)23-14(9)26)24-25-15(29)8-5-4-7(2)32-8/h4-6,10-12,17,27-28H,3H2,1-2H3,(H,20,30)(H,25,29)(H,22,23,24)/t10-,11+,12-,17+/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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4.95E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202568
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-3-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-3-4-31-5-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202563
PNG
(1-deoxy-1-[6-(N'-(4-chlorobenzoyl)hydrazino)-9H-pu...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-18(31)14-12(28)13(29)19(32-14)27-8-24-11-15(22-7-23-16(11)27)25-26-17(30)9-3-5-10(20)6-4-9/h3-8,12-14,19,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,22,23,25)/t12-,13+,14-,19+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202576
PNG
(1-deoxy-1-[6-(N'-benzoyl-hydrazino)-2-chloro-9H-pu...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-17(31)13-11(28)12(29)18(32-13)27-8-22-10-14(23-19(20)24-15(10)27)25-26-16(30)9-6-4-3-5-7-9/h3-8,11-13,18,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,23,24,25)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202563
PNG
(1-deoxy-1-[6-(N'-(4-chlorobenzoyl)hydrazino)-9H-pu...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-18(31)14-12(28)13(29)19(32-14)27-8-24-11-15(22-7-23-16(11)27)25-26-17(30)9-3-5-10(20)6-4-9/h3-8,12-14,19,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,22,23,25)/t12-,13+,14-,19+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202569
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-phenyl-isoxazole-3-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C22H21ClN8O6/c1-2-24-20(35)16-14(32)15(33)21(36-16)31-9-25-13-17(26-22(23)27-18(13)31)28-29-19(34)11-8-12(37-30-11)10-6-4-3-5-7-10/h3-9,14-16,21,32-33H,2H2,1H3,(H,24,35)(H,29,34)(H,26,27,28)/t14-,15+,16-,21+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202574
PNG
(1-deoxy-1-{6-[N'-(5-bromo-furan-2-carbonyl)-hydraz...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12
Show InChI InChI=1S/C17H18BrN7O6/c1-2-19-16(29)12-10(26)11(27)17(31-12)25-6-22-9-13(20-5-21-14(9)25)23-24-15(28)7-3-4-8(18)30-7/h3-6,10-12,17,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,20,21,23)/t10-,11+,12-,17+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202569
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-phenyl-isoxazole-3-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C22H21ClN8O6/c1-2-24-20(35)16-14(32)15(33)21(36-16)31-9-25-13-17(26-22(23)27-18(13)31)28-29-19(34)11-8-12(37-30-11)10-6-4-3-5-7-10/h3-9,14-16,21,32-33H,2H2,1H3,(H,24,35)(H,29,34)(H,26,27,28)/t14-,15+,16-,21+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202567
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-methyl-isoxazole-3-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(C)on3)nc(Cl)nc12
Show InChI InChI=1S/C17H19ClN8O6/c1-3-19-15(30)11-9(27)10(28)16(31-11)26-5-20-8-12(21-17(18)22-13(8)26)23-24-14(29)7-4-6(2)32-25-7/h4-5,9-11,16,27-28H,3H2,1-2H3,(H,19,30)(H,24,29)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202565
PNG
(1-deoxy-1-{2-chloro-6-[N'-(thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O5S/c1-2-19-15(29)11-9(26)10(27)16(30-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-31-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202573
PNG
(1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12
Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202578
PNG
(1-deoxy-1-{6-[N'-(5-methyl-thiophene-2-carbonyl)-h...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12
Show InChI InChI=1S/C18H21N7O5S/c1-3-19-17(29)13-11(26)12(27)18(30-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)31-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202561
PNG
(1-deoxy-1-[6-(N'-benzoylhydrazino)-9H-purin-9-yl]-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12
Show InChI InChI=1S/C19H21N7O5/c1-2-20-18(30)14-12(27)13(28)19(31-14)26-9-23-11-15(21-8-22-16(11)26)24-25-17(29)10-6-4-3-5-7-10/h3-9,12-14,19,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t12-,13+,14-,19+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202569
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-phenyl-isoxazole-3-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C22H21ClN8O6/c1-2-24-20(35)16-14(32)15(33)21(36-16)31-9-25-13-17(26-22(23)27-18(13)31)28-29-19(34)11-8-12(37-30-11)10-6-4-3-5-7-10/h3-9,14-16,21,32-33H,2H2,1H3,(H,24,35)(H,29,34)(H,26,27,28)/t14-,15+,16-,21+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202576
PNG
(1-deoxy-1-[6-(N'-benzoyl-hydrazino)-2-chloro-9H-pu...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-17(31)13-11(28)12(29)18(32-13)27-8-22-10-14(23-19(20)24-15(10)27)25-26-16(30)9-6-4-3-5-7-9/h3-8,11-13,18,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,23,24,25)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202570
PNG
(1-deoxy-1-{6-[N'-(furan-2-carbonyl)-hydrazino]-9H-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H19N7O6/c1-2-18-16(28)12-10(25)11(26)17(30-12)24-7-21-9-13(19-6-20-14(9)24)22-23-15(27)8-4-3-5-29-8/h3-7,10-12,17,25-26H,2H2,1H3,(H,18,28)(H,23,27)(H,19,20,22)/t10-,11+,12-,17+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202572
PNG
(1-deoxy-1-{2-chloro-6-[N'-(1-H-pyrrole-2-carbonyl)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12
Show InChI InChI=1S/C17H19ClN8O5/c1-2-19-15(30)11-9(27)10(28)16(31-11)26-6-21-8-12(22-17(18)23-13(8)26)24-25-14(29)7-4-3-5-20-7/h3-6,9-11,16,20,27-28H,2H2,1H3,(H,19,30)(H,25,29)(H,22,23,24)/t9-,10+,11-,16+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202564
PNG
(1-deoxy-1-{2-chloro-6-[N'-(5-methyl-thiophene-2-ca...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12
Show InChI InChI=1S/C18H20ClN7O5S/c1-3-20-16(30)12-10(27)11(28)17(31-12)26-6-21-9-13(22-18(19)23-14(9)26)24-25-15(29)8-5-4-7(2)32-8/h4-6,10-12,17,27-28H,3H2,1-2H3,(H,20,30)(H,25,29)(H,22,23,24)/t10-,11+,12-,17+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202561
PNG
(1-deoxy-1-[6-(N'-benzoylhydrazino)-9H-purin-9-yl]-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12
Show InChI InChI=1S/C19H21N7O5/c1-2-20-18(30)14-12(27)13(28)19(31-14)26-9-23-11-15(21-8-22-16(11)26)24-25-17(29)10-6-4-3-5-7-10/h3-9,12-14,19,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t12-,13+,14-,19+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202562
PNG
(1-deoxy-1-{6-[N'-(1-methyl-4-nitro-1H-imidazole-2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3nc(cn3C)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H20N10O7/c1-3-18-15(30)11-9(28)10(29)17(34-11)26-6-21-8-12(19-5-20-13(8)26)23-24-16(31)14-22-7(27(32)33)4-25(14)2/h4-6,9-11,17,28-29H,3H2,1-2H3,(H,18,30)(H,24,31)(H,19,20,23)/t9-,10+,11-,17+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202573
PNG
(1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12
Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50202571
PNG
(1-deoxy-1-{6-[N'-(5-methyl-furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12
Show InChI InChI=1S/C18H21N7O6/c1-3-19-17(29)13-11(26)12(27)18(31-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)30-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
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