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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'ghai' and Initial = 'gr'   
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


(Rattus norvegicus (rat))
BDBM50094569
PNG
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)
Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81970
PNG
(CAS_108-91-8 | CHA | Cyclohexylamines)
Show SMILES NC1CCCCC1
Show InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
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2.30n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015655
PNG
((2S,3S,4R)-5-{(R)-6-Amino-2-[2-(4-chloro-phenyl)-e...)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C20H24ClN7O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19?/m0/s1
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7.5n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015648
PNG
((2S,3S,4R)-5-{(R)-6-Amino-2-[2-(4-fluoro-phenyl)-e...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H24FN7O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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9n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015649
PNG
(3-(4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
Show InChI InChI=1S/C24H31N7O6/c1-3-26-22(35)19-17(33)18(34)23(37-19)31-12-28-16-20(25)29-24(30-21(16)31)27-11-10-14-6-4-13(5-7-14)8-9-15(32)36-2/h4-7,12,17-19,23,33-34H,3,8-11H2,1-2H3,(H,26,35)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1
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9n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50385958
PNG
(CHEMBL2042298)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C20H25N7O4/c1-2-22-18(30)15-13(28)14(29)19(31-15)27-10-24-12-16(21)25-20(26-17(12)27)23-9-8-11-6-4-3-5-7-11/h3-7,10,13-15,19,28-29H,2,8-9H2,1H3,(H,22,30)(H3,21,23,25,26)/t13-,14+,15-,19+/m0/s1
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9.70n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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10n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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12n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50015653
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-phenethylamino-purin-9...)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C20H25N7O4/c1-2-22-18(30)15-13(28)14(29)19(31-15)27-10-24-12-16(21)25-20(26-17(12)27)23-9-8-11-6-4-3-5-7-11/h3-7,10,13-15,19,28-29H,2,8-9H2,1H3,(H,22,30)(H3,21,23,25,26)/t13-,14+,15-,19?/m0/s1
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12.9n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015657
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-phenethylamino-purin-9...)
Show SMILES Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C21H25N7O4/c22-17-13-18(27-21(26-17)23-9-8-11-4-2-1-3-5-11)28(10-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h1-5,10,12,14-16,20,29-30H,6-9H2,(H,25,31)(H3,22,23,26,27)/t14-,15+,16-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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19n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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21.9n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015650
PNG
((4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoyl-...)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
Show InChI InChI=1S/C22H27N7O7/c1-2-24-20(34)17-15(32)16(33)21(36-17)29-10-26-14-18(23)27-22(28-19(14)29)25-8-7-11-3-5-12(6-4-11)35-9-13(30)31/h3-6,10,15-17,21,32-33H,2,7-9H2,1H3,(H,24,34)(H,30,31)(H3,23,25,27,28)/t15-,16+,17-,21?/m0/s1
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42n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015654
PNG
((4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoyl-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
Show InChI InChI=1S/C22H27N7O6/c1-2-24-20(34)17-15(32)16(33)21(35-17)29-10-26-14-18(23)27-22(28-19(14)29)25-8-7-11-3-5-12(6-4-11)9-13(30)31/h3-6,10,15-17,21,32-33H,2,7-9H2,1H3,(H,24,34)(H,30,31)(H3,23,25,27,28)/t15-,16+,17-,21+/m0/s1
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45n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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71n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015651
PNG
((2S,3S,4R)-5-[(R)-6-Amino-2-(methyl-phenethyl-amin...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
Show InChI InChI=1S/C21H27N7O4/c1-3-23-19(31)16-14(29)15(30)20(32-16)28-11-24-13-17(22)25-21(26-18(13)28)27(2)10-9-12-7-5-4-6-8-12/h4-8,11,14-16,20,29-30H,3,9-10H2,1-2H3,(H,23,31)(H2,22,25,26)/t14-,15+,16-,20+/m0/s1
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71n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50407975
PNG
(CHEMBL519809)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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71n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015652
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-phenethylamino-purin-9...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C19H23N7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-9-23-11-15(20)24-19(25-16(11)26)22-8-7-10-5-3-2-4-6-10/h2-6,9,12-14,18,27-28H,7-8H2,1H3,(H,21,29)(H3,20,22,24,25)/t12-,13+,14-,18+/m0/s1
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77n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50407975
PNG
(CHEMBL519809)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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101n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50004464
PNG
((CV 1808) 2-(6-Amino-2-phenylamino-purin-9-yl)-5-h...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11+,12?,15-/m1/s1
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115n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50385958
PNG
(CHEMBL2042298)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C20H25N7O4/c1-2-22-18(30)15-13(28)14(29)19(31-15)27-10-24-12-16(21)25-20(26-17(12)27)23-9-8-11-6-4-3-5-7-11/h3-7,10,13-15,19,28-29H,2,8-9H2,1H3,(H,22,30)(H3,21,23,25,26)/t13-,14+,15-,19+/m0/s1
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473n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015657
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-phenethylamino-purin-9...)
Show SMILES Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C21H25N7O4/c22-17-13-18(27-21(26-17)23-9-8-11-4-2-1-3-5-11)28(10-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h1-5,10,12,14-16,20,29-30H,6-9H2,(H,25,31)(H3,22,23,26,27)/t14-,15+,16-,20+/m0/s1
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502n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50094569
PNG
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)
Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
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636n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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689n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM81970
PNG
(CAS_108-91-8 | CHA | Cyclohexylamines)
Show SMILES NC1CCCCC1
Show InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
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870n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004464
PNG
((CV 1808) 2-(6-Amino-2-phenylamino-purin-9-yl)-5-h...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11+,12?,15-/m1/s1
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910n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015658
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-benzylamino-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
Show InChI InChI=1S/C19H23N7O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-23-11-15(20)24-19(25-16(11)26)22-8-10-6-4-3-5-7-10/h3-7,9,12-14,18,27-28H,2,8H2,1H3,(H,21,29)(H3,20,22,24,25)/t12-,13+,14-,18+/m0/s1
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1.13E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015648
PNG
((2S,3S,4R)-5-{(R)-6-Amino-2-[2-(4-fluoro-phenyl)-e...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H24FN7O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19+/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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1.26E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015649
PNG
(3-(4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
Show InChI InChI=1S/C24H31N7O6/c1-3-26-22(35)19-17(33)18(34)23(37-19)31-12-28-16-20(25)29-24(30-21(16)31)27-11-10-14-6-4-13(5-7-14)8-9-15(32)36-2/h4-7,12,17-19,23,33-34H,3,8-11H2,1-2H3,(H,26,35)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015655
PNG
((2S,3S,4R)-5-{(R)-6-Amino-2-[2-(4-chloro-phenyl)-e...)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C20H24ClN7O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19?/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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3.08E+3n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015650
PNG
((4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoyl-...)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
Show InChI InChI=1S/C22H27N7O7/c1-2-24-20(34)17-15(32)16(33)21(36-17)29-10-26-14-18(23)27-22(28-19(14)29)25-8-7-11-3-5-12(6-4-11)35-9-13(30)31/h3-6,10,15-17,21,32-33H,2,7-9H2,1H3,(H,24,34)(H,30,31)(H3,23,25,27,28)/t15-,16+,17-,21?/m0/s1
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4.25E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015654
PNG
((4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoyl-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
Show InChI InChI=1S/C22H27N7O6/c1-2-24-20(34)17-15(32)16(33)21(35-17)29-10-26-14-18(23)27-22(28-19(14)29)25-8-7-11-3-5-12(6-4-11)9-13(30)31/h3-6,10,15-17,21,32-33H,2,7-9H2,1H3,(H,24,34)(H,30,31)(H3,23,25,27,28)/t15-,16+,17-,21+/m0/s1
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4.88E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015652
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-phenethylamino-purin-9...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C19H23N7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-9-23-11-15(20)24-19(25-16(11)26)22-8-7-10-5-3-2-4-6-10/h2-6,9,12-14,18,27-28H,7-8H2,1H3,(H,21,29)(H3,20,22,24,25)/t12-,13+,14-,18+/m0/s1
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5.35E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015658
PNG
((2S,3S,4R)-5-((R)-6-Amino-2-benzylamino-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
Show InChI InChI=1S/C19H23N7O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-23-11-15(20)24-19(25-16(11)26)22-8-10-6-4-3-5-7-10/h3-7,9,12-14,18,27-28H,2,8H2,1H3,(H,21,29)(H3,20,22,24,25)/t12-,13+,14-,18+/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015651
PNG
((2S,3S,4R)-5-[(R)-6-Amino-2-(methyl-phenethyl-amin...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
Show InChI InChI=1S/C21H27N7O4/c1-3-23-19(31)16-14(29)15(30)20(32-16)28-11-24-13-17(22)25-21(26-18(13)28)27(2)10-9-12-7-5-4-6-8-12/h4-8,11,14-16,20,29-30H,3,9-10H2,1-2H3,(H,23,31)(H2,22,25,26)/t14-,15+,16-,20+/m0/s1
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1.21E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...


J Med Chem 33: 1919-24 (1990)


BindingDB Entry DOI: 10.7270/Q2VD701M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009535
PNG
((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...)
Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7|
Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


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



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009543
PNG
(2-{6-Amino-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-y...)
Show SMILES Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H28N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,11,15,17-18,21,29-31H,1-4,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009509
PNG
((CGS 22,492) 2-[6-Amino-2-(2-cyclohexyl-ethylamino...)
Show SMILES Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 22n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009546
PNG
(2-{6-Amino-2-[2-(4-methoxy-phenyl)-ethylamino]-pur...)
Show SMILES COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H24N6O5/c1-29-11-4-2-10(3-5-11)6-7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)30-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009515
PNG
(2-[6-Amino-2-(2-hydroxy-2-phenyl-propylamino)-puri...)
Show SMILES Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10-,11-,13-,14-,17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009513
PNG
(2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9...)
Show SMILES Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
Show InChI InChI=1S/C22H32N6O4/c23-18-15-19(28(10-25-15)20-17(31)16(30)14(9-29)32-20)27-21(26-18)24-2-1-22-6-11-3-12(7-22)5-13(4-11)8-22/h10-14,16-17,20,29-31H,1-9H2,(H3,23,24,26,27)/t11?,12?,13?,14-,16-,17-,20-,22?/m1/s1
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n/an/a 27n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL




J Med Chem 34: 2570-9 (1991)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
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