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Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'kirk' and Initial = 'kl'   
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


(Rattus norvegicus (rat))
BDBM50367265
PNG
(BDBM50396917 | CHEMBL1512545 | CHEMBL603401)
Show SMILES NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C28H32N8O6/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35)/t20-,24-,25-,28?/m1/s1
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0.850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025678
PNG
(2,6-Diamino-hexanoic acid (2-{2-[4-(2,6-dioxo-1,3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C27H40N8O5/c1-3-15-34-24-22(26(38)35(16-4-2)27(34)39)32-23(33-24)18-8-10-19(11-9-18)40-17-21(36)30-13-14-31-25(37)20(29)7-5-6-12-28/h8-11,20H,3-7,12-17,28-29H2,1-2H3,(H,30,36)(H,31,37)(H,32,33)/t20-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50016450
PNG
(CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...)
Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H30N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8,18,24-25H,3-4,9-13,22H2,1-2H3,(H,23,28)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367278
PNG
(CHEMBL604003)
Show SMILES Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C25H26N6O5/c1-14-2-6-16(7-3-14)29-19(33)10-15-4-8-17(9-5-15)30-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,29,33)(H,26,27,30)/t18-,21-,22-,25?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367277
PNG
(CHEMBL606513)
Show SMILES Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
Show InChI InChI=1S/C25H26N6O5/c1-14-3-2-4-17(9-14)29-19(33)10-15-5-7-16(8-6-15)30-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,29,33)(H,26,27,30)/t18-,21-,22-,25?/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50016451
PNG
(CHEMBL37306 | N-[2-(2-Amino-acetylamino)-ethyl]-2-...)
Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)CN)cc1
Show InChI InChI=1S/C23H33N7O5/c1-3-11-29-21-19(22(33)30(12-4-2)23(29)34)27-20(28-21)15-5-7-16(8-6-15)35-14-18(32)26-10-9-25-17(31)13-24/h5-8,20,27-28H,3-4,9-14,24H2,1-2H3,(H,25,31)(H,26,32)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021078
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H38N6O5/c1-4-16-35-28-26(29(39)36(17-5-2)30(35)40)32-27(33-28)22-9-13-24(14-10-22)41-20-25(38)31-15-18-34(6-3)19-21-7-11-23(37)12-8-21/h7-14,37H,4-6,15-20H2,1-3H3,(H,31,38)(H,32,33)
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50315857
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...)
Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367264
PNG
(CHEMBL604839)
Show SMILES COC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C27H28N6O7/c1-39-21(36)11-16-4-6-17(7-5-16)31-20(35)10-15-2-8-18(9-3-15)32-25-22-26(29-13-28-25)33(14-30-22)27-24(38)23(37)19(12-34)40-27/h2-9,13-14,19,23-24,27,34,37-38H,10-12H2,1H3,(H,31,35)(H,28,29,32)/t19-,23-,24-,27?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367273
PNG
(CHEMBL605042)
Show SMILES Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C17H19N5O4/c1-9-2-4-10(5-3-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/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/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367275
PNG
(CHEMBL604626)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C25H23F3N6O5/c26-25(27,28)14-3-7-15(8-4-14)32-18(36)9-13-1-5-16(6-2-13)33-22-19-23(30-11-29-22)34(12-31-19)24-21(38)20(37)17(10-35)39-24/h1-8,11-12,17,20-21,24,35,37-38H,9-10H2,(H,32,36)(H,29,30,33)/t17-,20-,21-,24?/m1/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50226936
PNG
(CHEMBL37351)
Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(N)=O)cc1
Show InChI InChI=1S/C25H36N8O6/c1-3-11-32-22-20(24(37)33(12-4-2)25(32)38)30-21(31-22)15-5-7-16(8-6-15)39-14-19(35)28-9-10-29-23(36)17(26)13-18(27)34/h5-8,17,20,22H,3-4,9-14,26H2,1-2H3,(H2,27,34)(H,28,35)(H,29,36)(H,30,31)
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367279
PNG
(CHEMBL604629)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCc5ccc(O)cc5)cc4)cc3)ncnc12
Show InChI InChI=1S/C37H40N8O8/c46-19-28-33(51)34(52)37(53-28)45-21-42-32-35(40-20-41-36(32)45)44-26-10-3-24(4-11-26)18-31(50)43-25-8-1-23(2-9-25)17-30(49)39-16-15-38-29(48)14-7-22-5-12-27(47)13-6-22/h1-6,8-13,20-21,28,33-34,37,46-47,51-52H,7,14-19H2,(H,38,48)(H,39,49)(H,43,50)(H,40,41,44)/t28-,33-,34-,37?/m1/s1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367263
PNG
(CHEMBL605047)
Show SMILES NNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C26H28N8O6/c27-33-20(37)10-15-1-5-16(6-2-15)31-19(36)9-14-3-7-17(8-4-14)32-24-21-25(29-12-28-24)34(13-30-21)26-23(39)22(38)18(11-35)40-26/h1-8,12-13,18,22-23,26,35,38-39H,9-11,27H2,(H,31,36)(H,33,37)(H,28,29,32)/t18-,22-,23-,26?/m1/s1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021086
PNG
(CHEMBL422937 | N-(8-Amino-octyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Show InChI InChI=1S/C27H40N6O4/c1-3-17-32-25-23(26(35)33(18-4-2)27(32)36)30-24(31-25)20-11-13-21(14-12-20)37-19-22(34)29-16-10-8-6-5-7-9-15-28/h11-14H,3-10,15-19,28H2,1-2H3,(H,29,34)(H,30,31)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]-cyclohexyladenosine


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367274
PNG
(CHEMBL604631)
Show SMILES CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C27H29N7O6/c1-28-20(36)10-15-2-6-17(7-3-15)32-21(37)11-16-4-8-18(9-5-16)33-25-22-26(30-13-29-25)34(14-31-22)27-24(39)23(38)19(12-35)40-27/h2-9,13-14,19,23-24,27,35,38-39H,10-12H2,1H3,(H,28,36)(H,32,37)(H,29,30,33)/t19-,23-,24-,27?/m1/s1
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6.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367272
PNG
(CHEMBL605460)
Show SMILES Cc1ccccc1NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H26N6O5/c1-14-4-2-3-5-17(14)30-19(33)10-15-6-8-16(9-7-15)29-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,30,33)(H,26,27,29)/t18-,21-,22-,25?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018002
PNG
(CHEMBL27081 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C23H25N5O7/c1-3-11-26-21-19(22(32)27(12-4-2)23(26)33)24-20(25-21)14-5-7-15(8-6-14)34-13-18(31)35-28-16(29)9-10-17(28)30/h5-8H,3-4,9-13H2,1-2H3,(H,24,25)
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025687
PNG
(2-[4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H25N5O4/c1-4-28-22-20(23(31)29(5-2)24(28)32)26-21(27-22)16-8-12-18(13-9-16)33-14-19(30)25-17-10-6-15(3)7-11-17/h6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27)
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9.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367268
PNG
(CHEMBL605875)
Show SMILES CC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C30H34N8O7/c1-17(40)31-10-11-32-23(41)12-18-2-6-20(7-3-18)36-24(42)13-19-4-8-21(9-5-19)37-28-25-29(34-15-33-28)38(16-35-25)30-27(44)26(43)22(14-39)45-30/h2-9,15-16,22,26-27,30,39,43-44H,10-14H2,1H3,(H,31,40)(H,32,41)(H,36,42)(H,33,34,37)/t22-,26-,27-,30?/m1/s1
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9.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025685
PNG
(2,6-Diamino-hexanoic acid (2-{2-[4-(1,3-diethyl-2,...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C25H36N8O5/c1-3-32-22-20(24(36)33(4-2)25(32)37)30-21(31-22)16-8-10-17(11-9-16)38-15-19(34)28-13-14-29-23(35)18(27)7-5-6-12-26/h8-11,18H,3-7,12-15,26-27H2,1-2H3,(H,28,34)(H,29,35)(H,30,31)/t18-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367269
PNG
(CHEMBL605671)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCCCC5SCC6NC(=O)NC56)cc4)cc3)ncnc12
Show InChI InChI=1S/C38H46N10O8S/c49-17-26-33(53)34(54)37(56-26)48-20-43-32-35(41-19-42-36(32)48)45-24-11-7-22(8-12-24)16-30(52)44-23-9-5-21(6-10-23)15-29(51)40-14-13-39-28(50)4-2-1-3-27-31-25(18-57-27)46-38(55)47-31/h5-12,19-20,25-27,31,33-34,37,49,53-54H,1-4,13-18H2,(H,39,50)(H,40,51)(H,44,52)(H,41,42,45)(H2,46,47,55)/t25?,26-,27?,31?,33-,34-,37?/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025689
PNG
(CHEMBL305765 | N-(2-Amino-ethyl)-2-[4-(1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C19H24N6O4/c1-3-24-17-15(18(27)25(4-2)19(24)28)22-16(23-17)12-5-7-13(8-6-12)29-11-14(26)21-10-9-20/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,26)(H,22,23)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367276
PNG
(CHEMBL606511)
Show SMILES CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H43N9O9/c1-35(2,3)53-34(51)43-23(32(50)37-15-26(47)36-4)13-19-5-9-21(10-6-19)41-25(46)14-20-7-11-22(12-8-20)42-30-27-31(39-17-38-30)44(18-40-27)33-29(49)28(48)24(16-45)52-33/h5-12,17-18,23-24,28-29,33,45,48-49H,13-16H2,1-4H3,(H,36,47)(H,37,50)(H,41,46)(H,43,51)(H,38,39,42)/t23?,24-,28-,29-,33?/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025688
PNG
(CHEMBL66523 | N-(2-Amino-ethyl)-2-[4-(1,3-dimethyl...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C17H20N6O4/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)10-3-5-11(6-4-10)27-9-12(24)19-8-7-18/h3-6H,7-9,18H2,1-2H3,(H,19,24)(H,20,21)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025682
PNG
(CHEMBL66207 | Propionic acid 4-(2,6-dioxo-1,3-dipr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)CC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)29-13-30-16(26)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367271
PNG
(CHEMBL604417)
Show SMILES CCOC(=O)CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H26N6O7/c1-2-34-16(31)8-23-15(30)7-12-3-5-13(6-4-12)27-20-17-21(25-10-24-20)28(11-26-17)22-19(33)18(32)14(9-29)35-22/h3-6,10-11,14,18-19,22,29,32-33H,2,7-9H2,1H3,(H,23,30)(H,24,25,27)/t14-,18-,19-,22?/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367270
PNG
(CHEMBL606297)
Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367270
PNG
(CHEMBL606297)
Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367589
PNG
(CHEMBL3144091 | CHEMBL611126)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O
Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367266
PNG
(CHEMBL605043)
Show SMILES COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C30H30F3N7O8/c1-47-28(45)19(39-29(46)30(31,32)33)10-15-2-6-17(7-3-15)37-21(42)11-16-4-8-18(9-5-16)38-25-22-26(35-13-34-25)40(14-36-22)27-24(44)23(43)20(12-41)48-27/h2-9,13-14,19-20,23-24,27,41,43-44H,10-12H2,1H3,(H,37,42)(H,39,46)(H,34,35,38)/t19?,20-,23-,24-,27?/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50021087
PNG
(2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-13-4-8-15(9-5-13)23-17(28)12-31-16-10-6-14(7-11-16)19-24-18-20(25-19)26(2)22(30)27(3)21(18)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,25)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021083
PNG
(CHEMBL265739 | N-(2-Acetylamino-ethyl)-2-[4-(2,6-d...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
Show InChI InChI=1S/C23H30N6O5/c1-4-12-28-21-19(22(32)29(13-5-2)23(28)33)26-20(27-21)16-6-8-17(9-7-16)34-14-18(31)25-11-10-24-15(3)30/h6-9H,4-5,10-14H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025690
PNG
(CHEMBL17141 | N-{4-[(2-Amino-ethylcarbamoyl)-methy...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
Show InChI InChI=1S/C27H31N7O5/c1-3-33-25-23(26(37)34(4-2)27(33)38)31-24(32-25)18-7-11-20(12-8-18)39-16-22(36)30-19-9-5-17(6-10-19)15-21(35)29-14-13-28/h5-12H,3-4,13-16,28H2,1-2H3,(H,29,35)(H,30,36)(H,31,32)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021087
PNG
(2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-13-4-8-15(9-5-13)23-17(28)12-31-16-10-6-14(7-11-16)19-24-18-20(25-19)26(2)22(30)27(3)21(18)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,25)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021087
PNG
(2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-13-4-8-15(9-5-13)23-17(28)12-31-16-10-6-14(7-11-16)19-24-18-20(25-19)26(2)22(30)27(3)21(18)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,25)
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.


J Med Chem 30: 211-4 (1987)


Article DOI: 10.1021/jm00384a037
BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
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