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Compile Data Set for Download or QSAR

Found 516 hits of ic50 data for polymerid = 49000132,49000138,49000139,49000141,49000144,5536,5768   
Target
(Institution)
LigandTarget
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 A1 receptor


(BOVINE)
BDBM50020986
PNG
(CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
Show InChI InChI=1S/C21H30N6O4S/c1-5-12-26-19-17(20(28)27(13-6-2)21(26)29)23-18(24-19)15-7-9-16(10-8-15)32(30,31)22-11-14-25(3)4/h7-10,22H,5-6,11-14H2,1-4H3,(H,23,24)
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n/an/a 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
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n/an/a 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021010
PNG
(CHEMBL545362 | N-(4-Dimethylamino-butyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCCN(C)C
Show InChI InChI=1S/C23H34N6O4S/c1-5-14-28-21-19(22(30)29(15-6-2)23(28)31)25-20(26-21)17-9-11-18(12-10-17)34(32,33)24-13-7-8-16-27(3)4/h9-12,24H,5-8,13-16H2,1-4H3,(H,25,26)
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n/an/a 0.0700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021008
PNG
(CHEMBL11036 | N-(3-Dimethylamino-propyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-5-13-27-20-18(21(29)28(14-6-2)22(27)30)24-19(25-20)16-8-10-17(11-9-16)33(31,32)23-12-7-15-26(3)4/h8-11,23H,5-7,12-15H2,1-4H3,(H,24,25)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021004
PNG
(8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020979
PNG
(4-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCC(=O)OCC
Show InChI InChI=1S/C23H31N5O6S/c1-4-14-27-21-19(22(30)28(15-5-2)23(27)31)25-20(26-21)16-9-11-17(12-10-16)35(32,33)24-13-7-8-18(29)34-6-3/h9-12,24H,4-8,13-15H2,1-3H3,(H,25,26)
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n/an/a 0.240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(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 0.320n/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(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 0.350n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding


J Med Chem 31: 745-51 (1988)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020974
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
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n/an/a 0.350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020974
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50452315
PNG
(CHEMBL2094086)
Show SMILES CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C20H23N5O5/c1-2-12(8-11-6-4-3-5-7-11)24-17-13-18(22-9-21-17)25(10-23-13)19-15(27)14(26)16(30-19)20(28)29/h3-7,9-10,12,14-16,19,26-27H,2,8H2,1H3,(H,28,29)(H,21,22,24)/t12-,14+,15-,16+,19-/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020981
PNG
(8-(4-Bromo-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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n/an/a 0.75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020976
PNG
(8-(2-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1N
Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-7-5-6-8-12(11)18/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020966
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-diethyl-3,7-dihydr...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C15H16ClN5O2/c1-3-20-13-11(14(22)21(4-2)15(20)23)18-12(19-13)9-6-5-8(16)7-10(9)17/h5-7H,3-4,17H2,1-2H3,(H,18,19)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020963
PNG
(1,3-Diallyl-8-(2-amino-4-chloro-phenyl)-3,7-dihydr...)
Show SMILES Nc1cc(Cl)ccc1-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
Show InChI InChI=1S/C17H16ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h3-6,9H,1-2,7-8,19H2,(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020961
PNG
(8-(4-Ethyl-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES CCc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H16N4O2/c1-4-9-5-7-10(8-6-9)12-16-11-13(17-12)18(2)15(21)19(3)14(11)20/h5-8H,4H2,1-3H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor


(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
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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Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367385
PNG
(CHEMBL605863)
Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(O)=O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H21N5O5/c22-10-11(23)15(26-12(10)16(24)25)21-7-19-9-13(17-6-18-14(9)21)20-8-4-2-1-3-5-8/h6-8,10-12,15,22-23H,1-5H2,(H,24,25)(H,17,18,20)/t10-,11+,12-,15?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367678
PNG
(CHEMBL605469)
Show SMILES CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19?/m1/s1
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University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding


J Med Chem 31: 745-51 (1988)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021002
PNG
(4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N5O4S/c1-3-19-13-11(14(21)20(4-2)15(19)22)17-12(18-13)9-5-7-10(8-6-9)25(16,23)24/h5-8H,3-4H2,1-2H3,(H,17,18)(H2,16,23,24)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367375
PNG
(CHEMBL604834)
Show SMILES COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1
Show InChI InChI=1S/C17H17N5O6/c1-27-9-4-2-8(3-5-9)21-14-10-15(19-6-18-14)22(7-20-10)16-12(24)11(23)13(28-16)17(25)26/h2-7,11-13,16,23-24H,1H3,(H,25,26)(H,18,19,21)/t11-,12+,13-,16?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367493
PNG
(CHEMBL607777)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H16FN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021016
PNG
(8-(4-Bromo-phenyl)-1,3-diethyl-3,7-dihydro-purine-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN4O2/c1-3-19-13-11(14(21)20(4-2)15(19)22)17-12(18-13)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(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)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50452316
PNG
(CHEMBL2094084)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C19H21N5O5/c1-10(7-11-5-3-2-4-6-11)23-16-12-17(21-8-20-16)24(9-22-12)18-14(26)13(25)15(29-18)19(27)28/h2-6,8-10,13-15,18,25-26H,7H2,1H3,(H,27,28)(H,20,21,23)/t10-,13+,14-,15+,18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50421989
PNG
(CHEMBL611903)
Show SMILES CCCc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-2-5-11-6-3-4-7-12(11)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-4,6-7,9-10,13,15-16,19,25-27H,2,5,8H2,1H3,(H,20,21,23)/t13-,15-,16-,19?/m1/s1
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Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367387
PNG
(CHEMBL606503)
Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C15H21N5O5/c1-3-7(4-2)19-12-8-13(17-5-16-12)20(6-18-8)14-10(22)9(21)11(25-14)15(23)24/h5-7,9-11,14,21-22H,3-4H2,1-2H3,(H,23,24)(H,16,17,19)/t9-,10+,11-,14?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50421989
PNG
(CHEMBL611903)
Show SMILES CCCc1ccccc1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-2-5-11-6-3-4-7-12(11)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-4,6-7,9-10,13,15-16,19,25-27H,2,5,8H2,1H3,(H,20,21,23)/t13-,15-,16-,19?/m1/s1
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Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020997
PNG
(8-(4-Iodo-phenyl)-1,3-dimethyl-3,7-dihydro-purine-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(I)cc1
Show InChI InChI=1S/C13H11IN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
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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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367380
PNG
(CHEMBL605449)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12
Show InChI InChI=1S/C17H26N6O4/c1-4-9(5-2)22-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)18-6-3/h7-9,11-13,17,24-25H,4-6H2,1-3H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020965
PNG
(8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020967
PNG
(4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
Show InChI InChI=1S/C20H28N6O4S/c1-5-25-18-16(19(27)26(6-2)20(25)28)22-17(23-18)14-8-10-15(11-9-14)31(29,30)21-12-7-13-24(3)4/h8-11,21H,5-7,12-13H2,1-4H3,(H,22,23)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367383
PNG
(CHEMBL604207)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)/t12-,13+,14-,18?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020972
PNG
(8-(4-Dimethylamino-phenyl)-1,3-dimethyl-3,7-dihydr...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H17N5O2/c1-18(2)10-7-5-9(6-8-10)12-16-11-13(17-12)19(3)15(22)20(4)14(11)21/h5-8H,1-4H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50020852
PNG
(8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16)
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020852
PNG
(8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16)
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021017
PNG
(8-(4-Ethoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H16N4O3/c1-4-22-10-7-5-9(6-8-10)12-16-11-13(17-12)18(2)15(21)19(3)14(11)20/h5-8H,4H2,1-3H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020970
PNG
(8-(3-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-5-4-6-9(7-8)21-3/h4-7H,1-3H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM82012
PNG
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50021000
PNG
(1-Allyl-8-(2-amino-4-chloro-phenyl)-3-methyl-3,7-d...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C15H14ClN5O2/c1-3-6-21-14(22)11-13(20(2)15(21)23)19-12(18-11)9-5-4-8(16)7-10(9)17/h3-5,7H,1,6,17H2,2H3,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367388
PNG
(CHEMBL606501)
Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C18H26N6O4/c1-3-9(4-2)22-15-11-16(20-7-19-15)24(8-21-11)18-13(26)12(25)14(28-18)17(27)23-10-5-6-10/h7-10,12-14,18,25-26H,3-6H2,1-2H3,(H,23,27)(H,19,20,22)/t12-,13+,14-,18?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain A1 adenosine receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor


(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
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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Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.


J Med Chem 33: 2240-54 (1990)

More data for this
Ligand-Target Pair
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