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Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with all data for entry = 50018511   
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 A1


(Homo sapiens (human))
BDBM50196560
PNG
((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1
Show InChI InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/m1/s1
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0.400n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196555
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C25H25N9O5/c1-2-26-23(38)14-9-28-34(10-14)25-31-21(30-17-8-7-13-5-3-4-6-15(13)29-17)18-22(32-25)33(12-27-18)24-20(37)19(36)16(11-35)39-24/h3-10,12,16,19-20,24,35-37H,2,11H2,1H3,(H,26,38)(H,29,30,31,32)/t16-,19-,20-,24-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196557
PNG
(1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H24N8O5/c20-15(31)9-5-22-27(6-9)19-24-16(23-10-3-1-2-4-10)12-17(25-19)26(8-21-12)18-14(30)13(29)11(7-28)32-18/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H2,20,31)(H,23,24,25)/t11-,13-,14-,18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196558
PNG
(1-(6-(p-toluidino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C23H26N8O5/c1-3-24-21(35)13-8-26-31(9-13)23-28-19(27-14-6-4-12(2)5-7-14)16-20(29-23)30(11-25-16)22-18(34)17(33)15(10-32)36-22/h4-9,11,15,17-18,22,32-34H,3,10H2,1-2H3,(H,24,35)(H,27,28,29)/t15-,17-,18-,22-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196563
PNG
(CHEMBL392958 | ethyl 1-(6-(cyclopentylamino)-9-((2...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H27N7O6/c1-2-33-20(32)11-7-23-28(8-11)21-25-17(24-12-5-3-4-6-12)14-18(26-21)27(10-22-14)19-16(31)15(30)13(9-29)34-19/h7-8,10,12-13,15-16,19,29-31H,2-6,9H2,1H3,(H,24,25,26)/t13-,15-,16-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196543
PNG
(1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C21H25N7O6/c29-8-12-14(30)15(31)18(34-12)27-9-22-13-16(26-21-3-1-10(5-21)2-4-21)24-20(25-17(13)27)28-7-11(6-23-28)19(32)33/h6-7,9-10,12,14-15,18,29-31H,1-5,8H2,(H,32,33)(H,24,25,26)/t10?,12-,14-,15-,18-,21?/m1/s1
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1n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196541
PNG
(1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H28N8O5/c1-2-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1
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1n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196546
PNG
(1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H26N8O5/c1-21-18(32)10-6-23-28(7-10)20-25-16(24-11-4-2-3-5-11)13-17(26-20)27(9-22-13)19-15(31)14(30)12(8-29)33-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t12-,14-,15-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196569
PNG
(CHEMBL232516 | N-benzyl-1-(9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H28N8O6/c34-12-16-19(35)20(36)24(39-16)32-13-27-18-21(29-17-7-4-8-38-17)30-25(31-22(18)32)33-11-15(10-28-33)23(37)26-9-14-5-2-1-3-6-14/h1-3,5-6,10-11,13,16-17,19-20,24,34-36H,4,7-9,12H2,(H,26,37)(H,29,30,31)/t16-,17-,19-,20-,24-/m1/s1
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2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196564
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18-/m1/s1
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2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196566
PNG
(CHEMBL234974 | ethyl 1-(6-(bicyclo[2.2.1]heptan-1-...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1
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3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196552
PNG
(CHEMBL398588 | ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H25N7O7/c1-2-32-19(31)10-6-22-27(7-10)20-24-16(23-12-4-3-5-33-12)13-17(25-20)26(9-21-13)18-15(30)14(29)11(8-28)34-18/h6-7,9,11-12,14-15,18,28-30H,2-5,8H2,1H3,(H,23,24,25)/t11-,12-,14-,15-,18-/m1/s1
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3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196540
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-12-3-1-2-4-20-12)13-17(25-19)26(9-21-13)18-15(31)14(30)11(8-29)32-18/h1-6,9,11,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t11-,14-,15-,18-/m1/s1
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3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196548
PNG
(CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
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4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196561
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196553
PNG
(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Show SMILES CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C28H32N8O8/c1-2-42-27(41)16-7-5-15(6-8-16)10-29-25(40)17-11-31-36(12-17)28-33-23(32-19-4-3-9-43-19)20-24(34-28)35(14-30-20)26-22(39)21(38)18(13-37)44-26/h5-8,11-12,14,18-19,21-22,26,37-39H,2-4,9-10,13H2,1H3,(H,29,40)(H,32,33,34)/t18-,19-,21-,22-,26-/m1/s1
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6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196565
PNG
(1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydr...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H28N8O5/c1-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-2-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1
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8n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196542
PNG
(4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
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8n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196556
PNG
(1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1
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9n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196570
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H28N8O6/c1-2-5-22-19(33)11-7-24-29(8-11)21-26-17(25-13-4-3-6-34-13)14-18(27-21)28(10-23-14)20-16(32)15(31)12(9-30)35-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t12-,13-,15-,16-,20-/m1/s1
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10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196572
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/m1/s1
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10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196550
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(4-methoxy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20-/m1/s1
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15n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196547
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C21H20F3N7O5/c22-21(23,24)11-1-3-12(4-2-11)27-17-14-18(29-20(28-17)31-6-10(7-32)5-26-31)30(9-25-14)19-16(35)15(34)13(8-33)36-19/h1-6,9,13,15-16,19,32-35H,7-8H2,(H,27,28,29)/t13-,15-,16-,19-/m1/s1
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15n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196573
PNG
(CHEMBL234779 | N-(4-fluorobenzyl)-1-(9-((2R,3R,4S,...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H27FN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
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15n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196563
PNG
(CHEMBL392958 | ethyl 1-(6-(cyclopentylamino)-9-((2...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H27N7O6/c1-2-33-20(32)11-7-23-28(8-11)21-25-17(24-12-5-3-4-6-12)14-18(26-21)27(10-22-14)19-16(31)15(30)13(9-29)34-19/h7-8,10,12-13,15-16,19,29-31H,2-6,9H2,1H3,(H,24,25,26)/t13-,15-,16-,19-/m1/s1
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19n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196538
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C18H19N9O5/c28-6-9-3-22-27(5-9)18-24-15(23-11-4-19-1-2-20-11)12-16(25-18)26(8-21-12)17-14(31)13(30)10(7-29)32-17/h1-5,8,10,13-14,17,28-31H,6-7H2,(H,20,23,24,25)/t10-,13-,14-,17-/m1/s1
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196541
PNG
(1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H28N8O5/c1-2-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196545
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H24N8O6/c1-20-17(31)9-5-22-27(6-9)19-24-15(23-11-3-2-4-32-11)12-16(25-19)26(8-21-12)18-14(30)13(29)10(7-28)33-18/h5-6,8,10-11,13-14,18,28-30H,2-4,7H2,1H3,(H,20,31)(H,23,24,25)/t10-,11-,13-,14-,18-/m1/s1
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23n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196559
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C18H21N7O7/c26-6-9-12(27)13(28)16(32-9)24-7-19-11-14(21-10-2-1-3-31-10)22-18(23-15(11)24)25-5-8(4-20-25)17(29)30/h4-5,7,9-10,12-13,16,26-28H,1-3,6H2,(H,29,30)(H,21,22,23)/t9-,10-,12-,13-,16-/m1/s1
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24n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196571
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1
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26n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196548
PNG
(CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
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27n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196554
PNG
(CHEMBL428716 | ethyl 1-(6-(cyclohexylamino)-9-((2R...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
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30n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196554
PNG
(CHEMBL428716 | ethyl 1-(6-(cyclohexylamino)-9-((2R...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
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30n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196547
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C21H20F3N7O5/c22-21(23,24)11-1-3-12(4-2-11)27-17-14-18(29-20(28-17)31-6-10(7-32)5-26-31)30(9-25-14)19-16(35)15(34)13(8-33)36-19/h1-6,9,13,15-16,19,32-35H,7-8H2,(H,27,28,29)/t13-,15-,16-,19-/m1/s1
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31n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196549
PNG
((2R,3R,4S,5R)-2-(6-(cyclopentylamino)-2-(1H-pyrazo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1
Show InChI InChI=1S/C18H23N7O4/c26-8-11-13(27)14(28)17(29-11)24-9-19-12-15(21-10-4-1-2-5-10)22-18(23-16(12)24)25-7-3-6-20-25/h3,6-7,9-11,13-14,17,26-28H,1-2,4-5,8H2,(H,21,22,23)/t11-,13-,14-,17-/m1/s1
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34n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196538
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C18H19N9O5/c28-6-9-3-22-27(5-9)18-24-15(23-11-4-19-1-2-20-11)12-16(25-18)26(8-21-12)17-14(31)13(30)10(7-29)32-17/h1-5,8,10,13-14,17,28-31H,6-7H2,(H,20,23,24,25)/t10-,13-,14-,17-/m1/s1
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36n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196540
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-12-3-1-2-4-20-12)13-17(25-19)26(9-21-13)18-15(31)14(30)11(8-29)32-18/h1-6,9,11,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t11-,14-,15-,18-/m1/s1
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36n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196571
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1
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39n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196552
PNG
(CHEMBL398588 | ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihyd...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H25N7O7/c1-2-32-19(31)10-6-22-27(7-10)20-24-16(23-12-4-3-5-33-12)13-17(25-20)26(9-21-13)18-15(30)14(29)11(8-28)34-18/h6-7,9,11-12,14-15,18,28-30H,2-5,8H2,1H3,(H,23,24,25)/t11-,12-,14-,15-,18-/m1/s1
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41n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196568
PNG
((2R,3R,4S,5R)-2-(6-(ethylamino)-2-(4-(4-methoxyphe...)
Show SMILES CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21-/m1/s1
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41n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196573
PNG
(CHEMBL234779 | N-(4-fluorobenzyl)-1-(9-((2R,3R,4S,...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H27FN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
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43n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196570
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H28N8O6/c1-2-5-22-19(33)11-7-24-29(8-11)21-26-17(25-13-4-3-6-34-13)14-18(27-21)28(10-23-14)20-16(32)15(31)12(9-30)35-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t12-,13-,15-,16-,20-/m1/s1
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49n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196569
PNG
(CHEMBL232516 | N-benzyl-1-(9-((2R,3R,4S,5R)-3,4-di...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H28N8O6/c34-12-16-19(35)20(36)24(39-16)32-13-27-18-21(29-17-7-4-8-38-17)30-25(31-22(18)32)33-11-15(10-28-33)23(37)26-9-14-5-2-1-3-6-14/h1-3,5-6,10-11,13,16-17,19-20,24,34-36H,4,7-9,12H2,(H,26,37)(H,29,30,31)/t16-,17-,19-,20-,24-/m1/s1
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54n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196544
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C22H21N9O5/c32-8-11-5-25-31(7-11)22-28-18(27-21-23-6-12-3-1-2-4-13(12)26-21)15-19(29-22)30(10-24-15)20-17(35)16(34)14(9-33)36-20/h1-7,10,14,16-17,20,32-35H,8-9H2,(H,23,26,27,28,29)/t14-,16-,17-,20-/m1/s1
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63n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196562
PNG
(2-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C20H20N8O7/c29-6-9-4-23-28(5-9)20-25-16(24-12-3-10(19(33)34)1-2-21-12)13-17(26-20)27(8-22-13)18-15(32)14(31)11(7-30)35-18/h1-5,8,11,14-15,18,29-32H,6-7H2,(H,33,34)(H,21,24,25,26)/t11-,14-,15-,18-/m1/s1
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64n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196567
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15-/m1/s1
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73n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196551
PNG
((2R,3R,4S,5R)-2-(6-(p-toluidino)-2-(4-(hydroxymeth...)
Show SMILES Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1
Show InChI InChI=1S/C21H23N7O5/c1-11-2-4-13(5-3-11)24-18-15-19(26-21(25-18)28-7-12(8-29)6-23-28)27(10-22-15)20-17(32)16(31)14(9-30)33-20/h2-7,10,14,16-17,20,29-32H,8-9H2,1H3,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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74n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196562
PNG
(2-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1
Show InChI InChI=1S/C20H20N8O7/c29-6-9-4-23-28(5-9)20-25-16(24-12-3-10(19(33)34)1-2-21-12)13-17(26-20)27(8-22-13)18-15(32)14(31)11(7-30)35-18/h1-5,8,11,14-15,18,29-32H,6-7H2,(H,33,34)(H,21,24,25,26)/t11-,14-,15-,18-/m1/s1
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77n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50196555
PNG
(1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C25H25N9O5/c1-2-26-23(38)14-9-28-34(10-14)25-31-21(30-17-8-7-13-5-3-4-6-15(13)29-17)18-22(32-25)33(12-27-18)24-20(37)19(36)16(11-35)39-24/h3-10,12,16,19-20,24,35-37H,2,11H2,1H3,(H,26,38)(H,29,30,31,32)/t16-,19-,20-,24-/m1/s1
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89n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50196553
PNG
(CHEMBL393295 | ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-d...)
Show SMILES CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C28H32N8O8/c1-2-42-27(41)16-7-5-15(6-8-16)10-29-25(40)17-11-31-36(12-17)28-33-23(32-19-4-3-9-43-19)20-24(34-28)35(14-30-20)26-22(39)21(38)18(13-37)44-26/h5-8,11-12,14,18-19,21-22,26,37-39H,2-4,9-10,13H2,1H3,(H,29,40)(H,32,33,34)/t18-,19-,21-,22-,26-/m1/s1
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92n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 161-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.065
BindingDB Entry DOI: 10.7270/Q2KK9BDP
More data for this
Ligand-Target Pair
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