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Compile Data Set for Download or QSAR

Found 163 hits from CV Therapeutics   
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 A1


(Homo sapiens (human))
BDBM50058235
PNG
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21
Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
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0.450n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of binding to membranes from HEK293 cells expressing human Adenosine A1 receptor


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.720n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of binding to membranes from HEK293 cells expressing human Adenosine A1 receptor


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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1.10n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from Guinea pig membranes


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50058235
PNG
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21
Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
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1.43n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat forebrain


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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2.90n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from Guinea pig membranes


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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2.93n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from Guinea pig membranes


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138530
PNG
((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1
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3n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50058235
PNG
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21
Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
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3.15n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from Guinea pig membranes


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50058235
PNG
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21
Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
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3.20n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from Guinea pig membranes


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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3.77n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat forebrain


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50058235
PNG
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21
Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
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5.10n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat forebrain


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138535
PNG
(Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C22H26N6O5S/c29-17-15(10-32-22(34)23-8-13-4-2-1-3-5-13)33-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-31-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,34)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1
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12n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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12.6n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat forebrain


J Med Chem 40: 1773-8 (1997)


Article DOI: 10.1021/jm970013w
BindingDB Entry DOI: 10.7270/Q28K786M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119153
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-((E)-hex-1-enyl)-purin-...)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5+/t9-,12-,13-,16-/m1/s1
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14n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50119134
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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20n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138525
PNG
(CHEMBL358613 | Ethyl-thiocarbamic acid (2R,3S,4R)-...)
Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C17H24N6O5S/c1-2-18-17(29)27-6-10-12(24)13(25)16(28-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-26-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,29)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1
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33n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138524
PNG
(Allyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H24N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1
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35n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138540
PNG
(CHEMBL150676 | Isopropyl-thiocarbamic acid (2R,3S,...)
Show SMILES CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H26N6O5S/c1-9(2)22-18(30)28-6-11-13(25)14(26)17(29-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-27-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,30)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1
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36n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138527
PNG
(CHEMBL150348 | Methyl-thiocarbamic acid (2R,3S,4R)...)
Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C16H22N6O5S/c1-17-16(28)26-5-9-11(23)12(24)15(27-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-25-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,28)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1
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45n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138534
PNG
(CHEMBL149520 | Propyl-thiocarbamic acid (2R,3S,4R)...)
Show SMILES CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H26N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1
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50n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119165
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
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50n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138541
PNG
(CHEMBL151050 | Ethyl-thiocarbamic acid (2R,3S,4R)-...)
Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C17H23ClN6O5S/c1-2-19-17(30)28-6-9-11(25)12(26)15(29-9)24-7-20-10-13(21-8-3-4-27-5-8)22-16(18)23-14(10)24/h7-9,11-12,15,25-26H,2-6H2,1H3,(H,19,30)(H,21,22,23)/t8?,9-,11-,12-,15?/m1/s1
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55n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119142
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1
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60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119152
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1
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60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119131
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1
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60n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119134
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-...)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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66n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50138545
PNG
((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1
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70n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A1 receptor


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138536
PNG
(CHEMBL358227 | Methyl-thiocarbamic acid (2R,3S,4R)...)
Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C16H21ClN6O5S/c1-18-16(29)27-5-8-10(24)11(25)14(28-8)23-6-19-9-12(20-7-2-3-26-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,29)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1
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71n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138544
PNG
(CHEMBL356610 | Cyclopentyl-thiocarbamic acid (2R,3...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H28N6O5S/c27-15-13(8-30-20(32)25-11-3-1-2-4-11)31-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-29-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,32)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1
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72n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138547
PNG
(CHEMBL151169 | Isopropyl-carbamic acid (2R,3S,4R)-...)
Show SMILES CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H26N6O6/c1-9(2)22-18(27)29-6-11-13(25)14(26)17(30-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-28-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,27)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1
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78n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138521
PNG
(CHEMBL149790 | Methyl-carbamic acid (2R,3S,4R)-5-{...)
Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C16H21ClN6O6/c1-18-16(26)28-5-8-10(24)11(25)14(29-8)23-6-19-9-12(20-7-2-3-27-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1
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96n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50119165
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
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120n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119167
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1
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140n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138533
PNG
(CHEMBL150950 | Methyl-carbamic acid (2R,3R,5R)-3,4...)
Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C16H22N6O6/c1-17-16(25)27-5-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-26-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1
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140n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138543
PNG
(CHEMBL150944 | Cyclobutyl-thiocarbamic acid (2R,3S...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C19H26N6O5S/c26-14-12(7-29-19(31)24-10-2-1-3-10)30-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-28-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,31)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1
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148n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138537
PNG
(Butyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...)
Show SMILES CCCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C19H28N6O5S/c1-2-3-5-20-19(31)29-8-12-14(26)15(27)18(30-12)25-10-23-13-16(21-9-22-17(13)25)24-11-4-6-28-7-11/h9-12,14-15,18,26-27H,2-8H2,1H3,(H,20,31)(H,21,22,24)/t11?,12-,14-,15-,18?/m1/s1
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157n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138532
PNG
(CHEMBL151074 | Cyclopropyl-thiocarbamic acid (2R,3...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H24N6O5S/c25-13-11(6-28-18(30)23-9-1-2-9)29-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-27-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,30)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1
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157n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138548
PNG
(CHEMBL150240 | Ethyl-carbamic acid (2R,3S,4R)-3,4-...)
Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C17H24N6O6/c1-2-18-17(26)28-6-10-12(24)13(25)16(29-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-27-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1
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167n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119149
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl...)
Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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190n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119144
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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190n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138542
PNG
(CHEMBL150490 | Dimethyl-thiocarbamic acid (2R,3S,4...)
Show SMILES CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C17H24N6O5S/c1-22(2)17(29)27-6-10-12(24)13(25)16(28-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-26-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1
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205n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138551
PNG
(CHEMBL150604 | Cyclopropyl-carbamic acid (2R,3S,4R...)
Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H24N6O6/c25-13-11(6-29-18(27)23-9-1-2-9)30-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-28-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,27)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1
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209n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119161
PNG
(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1
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210n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119141
PNG
((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1
Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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220n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138523
PNG
(CHEMBL358218 | Cyclopentyl-carbamic acid (2R,3S,4R...)
Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C20H27ClN6O6/c21-19-25-16(23-11-5-6-31-7-11)13-17(26-19)27(9-22-13)18-15(29)14(28)12(33-18)8-32-20(30)24-10-3-1-2-4-10/h9-12,14-15,18,28-29H,1-8H2,(H,24,30)(H,23,25,26)/t11?,12-,14-,15-,18?/m1/s1
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226n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138546
PNG
(CHEMBL151046 | Propyl-carbamic acid (2R,3S,4R)-3,4...)
Show SMILES CCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H26N6O6/c1-2-4-19-18(27)29-7-11-13(25)14(26)17(30-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-28-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1
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235n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138550
PNG
(CHEMBL150517 | Dimethyl-carbamic acid (2R,3S,4R)-3...)
Show SMILES CN(C)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C17H24N6O6/c1-22(2)17(26)28-6-10-12(24)13(25)16(29-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-27-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1
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238n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50138529
PNG
(CHEMBL357055 | Cyclohexyl-thiocarbamic acid (2R,3S...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C21H30N6O5S/c28-16-14(9-31-21(33)26-12-4-2-1-3-5-12)32-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-30-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,33)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1
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253n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand


Bioorg Med Chem Lett 14: 535-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.094
BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119164
PNG
(({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydr...)
Show SMILES CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1
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290n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
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