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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'kammula' and Initial = 'u'   
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


(BOVINE)		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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 0.300n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [N6-[(3-[125I]-iodo-4-aminophenyl)ethyl]adenosine in calf brain

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367863
PNG
(CHEMBL604356)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-25-7-3-22(4-8-25)16-29(49)43-24-5-1-21(2-6-24)15-28(48)37-13-14-38-36(54)45-26-11-9-23(10-12-26)42-20-53/h1-12,18-19,27,31-32,35,47,50-51H,13-17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
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 0.469n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018420
PNG
(8-Cyclopentyl-1,3-dipropyl-2-thioxo-1,2,3,7-tetrah...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
Show InChI InChI=1S/C16H24N4OS/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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 0.655n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367859
PNG
(CHEMBL604152)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-24-10-6-22(7-11-24)15-29(49)43-23-8-4-21(5-9-23)14-28(48)37-12-13-38-36(54)45-26-3-1-2-25(16-26)42-20-53/h1-11,16,18-19,27,31-32,35,47,50-51H,12-15,17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
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 0.867n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018436
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(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)
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 0.870n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.900n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018433
PNG
(CHEMBL52993 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Show InChI InChI=1S/C24H34N6O4/c1-6-12-29-22-20(23(32)30(13-7-2)24(29)33)25-21(26-22)17-8-10-18(11-9-17)34-16-19(31)28(5)15-14-27(3)4/h8-11H,6-7,12-16H2,1-5H3,(H,25,26)
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 0.930n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
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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 1.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
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



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367862
PNG
(CHEMBL604353)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(Br)cc5)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C35H36BrN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50017981
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)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-15-36-26-24(27(39)37(16-4-2)29(36)40)34-25(35-26)19-5-11-22(12-6-19)41-17-23(38)30-13-14-31-28(43)33-21-9-7-20(8-10-21)32-18-42/h5-12H,3-4,13-17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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 1.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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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 1.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367870
PNG
(CHEMBL605171)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5c(F)c(F)c(F)c(F)c5F)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C35H32F5N9O6S/c36-23-24(37)26(39)28(27(40)25(23)38)48-35(56)42-10-9-41-21(51)11-16-1-5-18(6-2-16)46-22(52)12-17-3-7-19(8-4-17)47-32-29-33(44-14-43-32)49(15-45-29)34-31(54)30(53)20(13-50)55-34/h1-8,14-15,20,30-31,34,50,53-54H,9-13H2,(H,41,51)(H,46,52)(H2,42,48,56)(H,43,44,47)/t20-,30-,31-,34?/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367871
PNG
(CHEMBL605179)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCC[N-]C(=[SH+])Nc5ccc(cc5)[N+]([O-])=O)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H36N10O8S/c46-17-26-30(49)31(50)34(53-26)44-19-40-29-32(38-18-39-33(29)44)42-23-7-3-21(4-8-23)16-28(48)41-22-5-1-20(2-6-22)15-27(47)36-13-14-37-35(54)43-24-9-11-25(12-10-24)45(51)52/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H5,36,37,38,39,41,42,43,47,48,54)
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 2n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018430
PNG
(CHEMBL293102 | N-(2-Methylamino-ethyl)-2-[4-(6-oxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
Show InChI InChI=1S/C22H30N6O3S/c1-4-12-27-20-18(21(30)28(13-5-2)22(27)32)25-19(26-20)15-6-8-16(9-7-15)31-14-17(29)24-11-10-23-3/h6-9,23H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,26)
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 2.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008400
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)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-14-36-26-24(27(39)37(15-4-2)29(36)40)34-25(35-26)19-8-10-22(11-9-19)41-17-23(38)30-12-13-31-28(43)33-21-7-5-6-20(16-21)32-18-42/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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 2.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018009
PNG
(3-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
Show InChI InChI=1S/C27H31ClN6O8S2/c1-3-14-33-25-23(26(36)34(15-4-2)27(33)37)31-24(32-25)18-8-10-19(11-9-18)42-17-22(35)29-12-13-30-44(40,41)21-7-5-6-20(16-21)43(28,38)39/h5-11,16,30H,3-4,12-15,17H2,1-2H3,(H,29,35)(H,31,32)
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 2.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018404
PNG
(CHEMBL56076 | N-(2-Dimethylamino-ethyl)-N-methyl-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Show InChI InChI=1S/C24H34N6O3S/c1-6-12-29-22-20(23(32)30(13-7-2)24(29)34)25-21(26-22)17-8-10-18(11-9-17)33-16-19(31)28(5)15-14-27(3)4/h8-11H,6-7,12-16H2,1-5H3,(H,25,26)
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 2.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018408
PNG
(CHEMBL408489 | N-(2-Dimethylamino-ethyl)-2-[4-(6-o...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN(C)C)cc1
Show InChI InChI=1S/C23H32N6O3S/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)33)25-20(26-21)16-7-9-17(10-8-16)32-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)
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 2.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367867
PNG
(CHEMBL605170)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)C#N)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C36H36N10O6S/c37-17-23-5-11-26(12-6-23)45-36(53)39-14-13-38-28(48)15-21-1-7-24(8-2-21)43-29(49)16-22-3-9-25(10-4-22)44-33-30-34(41-19-40-33)46(20-42-30)35-32(51)31(50)27(18-47)52-35/h1-12,19-20,27,31-32,35,47,50-51H,13-16,18H2,(H,38,48)(H,43,49)(H2,39,45,53)(H,40,41,44)/t27-,31-,32-,35?/m1/s1
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 2.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018415
PNG
(CHEMBL294185 | N-(2-Amino-ethyl)-2-[4-(6-oxo-1,3-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O3S/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)31)24-18(25-19)14-5-7-15(8-6-14)30-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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 2.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018406
PNG
(CHEMBL59084 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
Show InChI InChI=1S/C23H32N6O4/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)32)25-20(26-21)16-7-9-17(10-8-16)33-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)
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 2.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50017983
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)NCC=O)cc1
Show InChI InChI=1S/C21H25N5O5/c1-3-10-25-19-17(20(29)26(11-4-2)21(25)30)23-18(24-19)14-5-7-15(8-6-14)31-13-16(28)22-9-12-27/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,22,28)(H,23,24)
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 3.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367865
PNG
(CHEMBL603937)
Show SMILES Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C36H39N9O6S/c1-21-2-8-26(9-3-21)44-36(52)38-15-14-37-28(47)16-22-4-10-24(11-5-22)42-29(48)17-23-6-12-25(13-7-23)43-33-30-34(40-19-39-33)45(20-41-30)35-32(50)31(49)27(18-46)51-35/h2-13,19-20,27,31-32,35,46,49-50H,14-18H2,1H3,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t27-,31-,32-,35?/m1/s1
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 3.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017991
PNG
(7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)
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 3.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017991
PNG
(7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)
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 3.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50367861
PNG
(CHEMBL603400)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1
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 4.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367861
PNG
(CHEMBL603400)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1
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 4.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018410
PNG
(8-Cyclopentyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=S)n(CCC)c1=S)C1CCCC1
Show InChI InChI=1S/C16H24N4S2/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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 4.90n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50018406
PNG
(CHEMBL59084 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
Show InChI InChI=1S/C23H32N6O4/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)32)25-20(26-21)16-7-9-17(10-8-16)33-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)
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 5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50017999
PNG
(6-Oxo-heptanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
Show InChI InChI=1S/C28H38N6O6/c1-4-16-33-26-24(27(38)34(17-5-2)28(33)39)31-25(32-26)20-10-12-21(13-11-20)40-18-23(37)30-15-14-29-22(36)9-7-6-8-19(3)35/h10-13H,4-9,14-18H2,1-3H3,(H,29,36)(H,30,37)(H,31,32)
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 6.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50018433
PNG
(CHEMBL52993 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Show InChI InChI=1S/C24H34N6O4/c1-6-12-29-22-20(23(32)30(13-7-2)24(29)33)25-21(26-22)17-8-10-18(11-9-17)34-16-19(31)28(5)15-14-27(3)4/h8-11H,6-7,12-16H2,1-5H3,(H,25,26)
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 6.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018428
PNG
(CHEMBL57290 | [5-Amino-5-(2-{2-[4-(2,6-dioxo-1,3-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H46N8O7/c1-3-20-42-31-29(33(46)43(21-4-2)35(42)48)40-30(41-31)25-13-15-26(16-14-25)49-23-28(44)37-18-19-38-32(45)27(36)12-8-9-17-39-34(47)50-22-24-10-6-5-7-11-24/h5-7,10-11,13-16,27H,3-4,8-9,12,17-23,36H2,1-2H3,(H,37,44)(H,38,45)(H,39,47)(H,40,41)
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 6.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017981
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)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-15-36-26-24(27(39)37(16-4-2)29(36)40)34-25(35-26)19-5-11-22(12-6-19)41-17-23(38)30-13-14-31-28(43)33-21-9-7-20(8-10-21)32-18-42/h5-12H,3-4,13-17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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 6.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367864
PNG
(CHEMBL603938)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccccc5F)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C35H36FN9O6S/c36-24-3-1-2-4-25(24)44-35(52)38-14-13-37-27(47)15-20-5-9-22(10-6-20)42-28(48)16-21-7-11-23(12-8-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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 6.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50018430
PNG
(CHEMBL293102 | N-(2-Methylamino-ethyl)-2-[4-(6-oxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
Show InChI InChI=1S/C22H30N6O3S/c1-4-12-27-20-18(21(30)28(13-5-2)22(27)32)25-19(26-20)15-6-8-16(9-7-15)31-14-17(29)24-11-10-23-3/h6-9,23H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,26)
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 6.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018438
PNG
(CHEMBL56018 | [4-(6-Oxo-1,3-dipropyl-2-thioxo-2,3,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O4S/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)30)22-18(23-19)14-7-9-15(10-8-14)29-13-16(26)28-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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 6.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017980
PNG
(CHEMBL275232 | N-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C31H35N9O5S2/c1-3-15-39-28-26(29(43)40(16-4-2)31(39)44)37-27(38-28)20-5-11-23(12-6-20)45-18-25(42)33-14-13-32-24(41)17-34-30(47)36-22-9-7-21(8-10-22)35-19-46/h5-12H,3-4,13-18H2,1-2H3,(H,32,41)(H,33,42)(H,37,38)(H2,34,36,47)
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 6.90n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017985
PNG
(CHEMBL266522 | N-{2-[3-(4-Bromo-phenyl)-thioureido...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H32BrN7O4S/c1-3-15-35-25-23(26(38)36(16-4-2)28(35)39)33-24(34-25)18-5-11-21(12-6-18)40-17-22(37)30-13-14-31-27(41)32-20-9-7-19(29)8-10-20/h5-12H,3-4,13-17H2,1-2H3,(H,30,37)(H,33,34)(H2,31,32,41)
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 7.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018423
PNG
(CHEMBL54848 | Octanedioic acid (2-{2-[4-(2,6-dioxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C34H45N7O6S/c1-3-19-40-32-30(33(45)41(20-4-2)34(40)46)38-31(39-32)24-13-15-25(16-14-24)47-23-29(44)36-18-17-35-27(42)11-7-5-6-8-12-28(43)37-22-26-10-9-21-48-26/h9-10,13-16,21H,3-8,11-12,17-20,22-23H2,1-2H3,(H,35,42)(H,36,44)(H,37,43)(H,38,39)
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 7.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367868
PNG
(CHEMBL604357)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C30H33BrN8O7/c31-13-24(43)33-10-9-32-22(41)11-17-1-5-19(6-2-17)37-23(42)12-18-3-7-20(8-4-18)38-28-25-29(35-15-34-28)39(16-36-25)30-27(45)26(44)21(14-40)46-30/h1-8,15-16,21,26-27,30,40,44-45H,9-14H2,(H,32,41)(H,33,43)(H,37,42)(H,34,35,38)/t21-,26-,27-,30?/m1/s1
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 8.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367866
PNG
(CHEMBL603923)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)ON4C(=O)CCC4=O)cc3)ncnc12 |r|
Show InChI InChI=1S/C22H22N6O8/c29-8-13-18(33)19(34)22(35-13)27-10-25-17-20(23-9-24-21(17)27)26-12-3-1-11(2-4-12)7-16(32)36-28-14(30)5-6-15(28)31/h1-4,9-10,13,18-19,22,29,33-34H,5-8H2,(H,23,24,26)/t13-,18-,19-,22?/m1/s1
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 8.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367872
PNG
(CHEMBL603402)
Show SMILES COc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C36H39N9O7S/c1-51-26-12-10-25(11-13-26)44-36(53)38-15-14-37-28(47)16-21-2-6-23(7-3-21)42-29(48)17-22-4-8-24(9-5-22)43-33-30-34(40-19-39-33)45(20-41-30)35-32(50)31(49)27(18-46)52-35/h2-13,19-20,27,31-32,35,46,49-50H,14-18H2,1H3,(H,37,47)(H,42,48)(H2,38,44,53)(H,39,40,43)/t27-,31-,32-,35?/m1/s1
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 8.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367869
PNG
(CHEMBL603931)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(F)cc5)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C35H36FN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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 8.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018398
PNG
(CHEMBL55340 | [5-Amino-5-(2-{2-[4-(6-oxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H46N8O6S/c1-3-20-42-31-29(33(46)43(21-4-2)35(42)50)40-30(41-31)25-13-15-26(16-14-25)48-23-28(44)37-18-19-38-32(45)27(36)12-8-9-17-39-34(47)49-22-24-10-6-5-7-11-24/h5-7,10-11,13-16,27H,3-4,8-9,12,17-23,36H2,1-2H3,(H,37,44)(H,38,45)(H,39,47)(H,40,41)
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 8.90n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
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



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50017995
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)NCCNC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C28H28F5N7O4S/c1-3-11-39-25-23(26(42)40(12-4-2)28(39)43)36-24(38-25)14-5-7-15(8-6-14)44-13-16(41)34-9-10-35-27(45)37-22-20(32)18(30)17(29)19(31)21(22)33/h5-8H,3-4,9-13H2,1-2H3,(H,34,41)(H,36,38)(H2,35,37,45)
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 9.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50018425
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)NCCNC)cc1
Show InChI InChI=1S/C22H30N6O4/c1-4-12-27-20-18(21(30)28(13-5-2)22(27)31)25-19(26-20)15-6-8-16(9-7-15)32-14-17(29)24-11-10-23-3/h6-9,23H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,26)
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 9.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367860
PNG
(CHEMBL603929)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)ON5C(=O)CCC5=O)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C30H29N7O9/c38-13-20-26(43)27(44)30(45-20)36-15-33-25-28(31-14-32-29(25)36)35-19-7-1-16(2-8-19)11-21(39)34-18-5-3-17(4-6-18)12-24(42)46-37-22(40)9-10-23(37)41/h1-8,14-15,20,26-27,30,38,43-44H,9-13H2,(H,34,39)(H,31,32,35)/t20-,26-,27-,30?/m1/s1
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 9.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50018013
PNG
(4-Bromomethyl-N-(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)c2ccc(CBr)cc2)cc1
Show InChI InChI=1S/C29H33BrN6O5/c1-3-15-35-26-24(28(39)36(16-4-2)29(35)40)33-25(34-26)20-9-11-22(12-10-20)41-18-23(37)31-13-14-32-27(38)21-7-5-19(17-30)6-8-21/h5-12H,3-4,13-18H2,1-2H3,(H,31,37)(H,32,38)(H,33,34)
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 10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.

J Med Chem 32: 1043-51 (1989)


BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
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