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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50036861   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
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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5.07n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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7.43n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369627
PNG
(CHEMBL608306)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C17H24ClN5O4/c18-17-21-14(20-9-5-3-1-2-4-6-9)11-15(22-17)23(8-19-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H,20,21,22)/t10-,12-,13-,16?/m1/s1
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37.9n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369633
PNG
(CHEMBL607729)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H26ClN5O4/c19-18-22-15(21-10-6-4-2-1-3-5-7-10)12-16(23-18)24(9-20-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H,21,22,23)/t11-,13-,14-,17?/m1/s1
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122n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369631
PNG
(CHEMBL1790734)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1
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154n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369629
PNG
(CHEMBL1790733)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1
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212n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369626
PNG
(CHEMBL1790737)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
Show InChI InChI=1S/C14H18ClN5O3/c15-14-18-12(17-7-2-1-3-7)11-13(19-14)20(6-16-11)10-4-8(22)9(5-21)23-10/h6-10,21-22H,1-5H2,(H,17,18,19)/t8-,9+,10+/m0/s1
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245n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50084445
PNG
(2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1
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247n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369058
PNG
(CHEMBL611851)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C18H26N4O4/c23-9-13-15(24)16(25)18(26-13)22-10-20-14-12(7-8-19-17(14)22)21-11-5-3-1-2-4-6-11/h7-8,10-11,13,15-16,18,23-25H,1-6,9H2,(H,19,21)/t13-,15-,16-,18?/m1/s1
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364n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369632
PNG
(CHEMBL1790716)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H24ClN5O3/c18-17-21-15(20-10-5-3-1-2-4-6-10)14-16(22-17)23(9-19-14)13-7-11(25)12(8-24)26-13/h9-13,24-25H,1-8H2,(H,20,21,22)/t11-,12+,13+/m0/s1
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369n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369624
PNG
(CHEMBL1790730)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3/c22-7-12-11(23)6-13(24-12)21-9-19-14-15(17-8-18-16(14)21)20-10-4-2-1-3-5-10/h8-13,22-23H,1-7H2,(H,17,18,20)/t11-,12+,13+/m0/s1
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412n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369637
PNG
(CHEMBL1790736)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H22ClN5O3/c17-16-20-14(19-9-4-2-1-3-5-9)13-15(21-16)22(8-18-13)12-6-10(24)11(7-23)25-12/h8-12,23-24H,1-7H2,(H,19,20,21)/t10-,11+,12+/m0/s1
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497n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369628
PNG
(CHEMBL1790735)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12
Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1
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524n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369065
PNG
(CHEMBL606228)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C19H28N4O4/c24-10-14-16(25)17(26)19(27-14)23-11-21-15-13(8-9-20-18(15)23)22-12-6-4-2-1-3-5-7-12/h8-9,11-12,14,16-17,19,24-26H,1-7,10H2,(H,20,22)/t14-,16-,17-,19?/m1/s1
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539n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369639
PNG
(CHEMBL1790731)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12
Show InChI InChI=1S/C18H27N5O3/c24-9-14-13(25)8-15(26-14)23-11-21-16-17(19-10-20-18(16)23)22-12-6-4-2-1-3-5-7-12/h10-15,24-25H,1-9H2,(H,19,20,22)/t13-,14+,15+/m0/s1
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586n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369061
PNG
(CHEMBL604965)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C19H27ClN4O4/c20-14-8-12(22-11-6-4-2-1-3-5-7-11)15-18(23-14)24(10-21-15)19-17(27)16(26)13(9-25)28-19/h8,10-11,13,16-17,19,25-27H,1-7,9H2,(H,22,23)/t13-,16-,17-,19?/m1/s1
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595n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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640n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369638
PNG
(CHEMBL1790714)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C18H26ClN5O3/c19-18-22-16(21-11-6-4-2-1-3-5-7-11)15-17(23-18)24(10-20-15)14-8-12(26)13(9-25)27-14/h10-14,25-26H,1-9H2,(H,21,22,23)/t12-,13+,14+/m0/s1
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659n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369635
PNG
(CHEMBL1790739)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C13H16ClN5O3/c14-13-17-11(16-6-1-2-6)10-12(18-13)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,1-4H2,(H,16,17,18)/t7-,8+,9+/m0/s1
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724n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369625
PNG
(CHEMBL1790715)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12
Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1
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769n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369632
PNG
(CHEMBL1790716)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H24ClN5O3/c18-17-21-15(20-10-5-3-1-2-4-6-10)14-16(22-17)23(9-19-14)13-7-11(25)12(8-24)26-13/h9-13,24-25H,1-8H2,(H,20,21,22)/t11-,12+,13+/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50369627
PNG
(CHEMBL608306)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C17H24ClN5O4/c18-17-21-14(20-9-5-3-1-2-4-6-9)11-15(22-17)23(8-19-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H,20,21,22)/t10-,12-,13-,16?/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369631
PNG
(CHEMBL1790734)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369638
PNG
(CHEMBL1790714)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C18H26ClN5O3/c19-18-22-16(21-11-6-4-2-1-3-5-7-11)15-17(23-18)24(10-20-15)14-8-12(26)13(9-25)27-14/h10-14,25-26H,1-9H2,(H,21,22,23)/t12-,13+,14+/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369637
PNG
(CHEMBL1790736)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H22ClN5O3/c17-16-20-14(19-9-4-2-1-3-5-9)13-15(21-16)22(8-18-13)12-6-10(24)11(7-23)25-12/h8-12,23-24H,1-7H2,(H,19,20,21)/t10-,11+,12+/m0/s1
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2.56E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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3.37E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369626
PNG
(CHEMBL1790737)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
Show InChI InChI=1S/C14H18ClN5O3/c15-14-18-12(17-7-2-1-3-7)11-13(19-14)20(6-16-11)10-4-8(22)9(5-21)23-10/h6-10,21-22H,1-5H2,(H,17,18,19)/t8-,9+,10+/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50369633
PNG
(CHEMBL607729)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H26ClN5O4/c19-18-22-15(21-10-6-4-2-1-3-5-7-10)12-16(23-18)24(9-20-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H,21,22,23)/t11-,13-,14-,17?/m1/s1
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4.23E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50084445
PNG
(2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1
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4.87E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50369058
PNG
(CHEMBL611851)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C18H26N4O4/c23-9-13-15(24)16(25)18(26-13)22-10-20-14-12(7-8-19-17(14)22)21-11-5-3-1-2-4-6-11/h7-8,10-11,13,15-16,18,23-25H,1-6,9H2,(H,19,21)/t13-,15-,16-,18?/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369639
PNG
(CHEMBL1790731)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12
Show InChI InChI=1S/C18H27N5O3/c24-9-14-13(25)8-15(26-14)23-11-21-16-17(19-10-20-18(16)23)22-12-6-4-2-1-3-5-7-12/h10-15,24-25H,1-9H2,(H,19,20,22)/t13-,14+,15+/m0/s1
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9.31E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369629
PNG
(CHEMBL1790733)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50369065
PNG
(CHEMBL606228)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C19H28N4O4/c24-10-14-16(25)17(26)19(27-14)23-11-21-15-13(8-9-20-18(15)23)22-12-6-4-2-1-3-5-7-12/h8-9,11-12,14,16-17,19,24-26H,1-7,10H2,(H,20,22)/t14-,16-,17-,19?/m1/s1
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1.37E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369635
PNG
(CHEMBL1790739)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C13H16ClN5O3/c14-13-17-11(16-6-1-2-6)10-12(18-13)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,1-4H2,(H,16,17,18)/t7-,8+,9+/m0/s1
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1.43E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369624
PNG
(CHEMBL1790730)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3/c22-7-12-11(23)6-13(24-12)21-9-19-14-15(17-8-18-16(14)21)20-10-4-2-1-3-5-10/h8-13,22-23H,1-7H2,(H,17,18,20)/t11-,12+,13+/m0/s1
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1.67E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50369061
PNG
(CHEMBL604965)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C19H27ClN4O4/c20-14-8-12(22-11-6-4-2-1-3-5-7-11)15-18(23-14)24(10-21-15)19-17(27)16(26)13(9-25)28-19/h8,10-11,13,16-17,19,25-27H,1-7,9H2,(H,22,23)/t13-,16-,17-,19?/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369625
PNG
(CHEMBL1790715)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12
Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1
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2.04E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369628
PNG
(CHEMBL1790735)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12
Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1
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2.36E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369636
PNG
(CHEMBL1790738)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
Show InChI InChI=1S/C13H17N5O3/c19-4-9-8(20)3-10(21-9)18-6-16-11-12(17-7-1-2-7)14-5-15-13(11)18/h5-10,19-20H,1-4H2,(H,14,15,17)/t8-,9+,10+/m0/s1
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2.52E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369636
PNG
(CHEMBL1790738)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
Show InChI InChI=1S/C13H17N5O3/c19-4-9-8(20)3-10(21-9)18-6-16-11-12(17-7-1-2-7)14-5-15-13(11)18/h5-10,19-20H,1-4H2,(H,14,15,17)/t8-,9+,10+/m0/s1
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1.34E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 13.3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369635
PNG
(CHEMBL1790739)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C13H16ClN5O3/c14-13-17-11(16-6-1-2-6)10-12(18-13)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,1-4H2,(H,16,17,18)/t7-,8+,9+/m0/s1
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n/an/an/an/a 6.18E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369628
PNG
(CHEMBL1790735)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12
Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1
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n/an/an/an/a 5.11E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50084445
PNG
(2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1
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n/an/an/an/a 6.58E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369627
PNG
(CHEMBL608306)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C17H24ClN5O4/c18-17-21-14(20-9-5-3-1-2-4-6-9)11-15(22-17)23(8-19-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H,20,21,22)/t10-,12-,13-,16?/m1/s1
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n/an/an/an/a 431n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369625
PNG
(CHEMBL1790715)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12
Show InChI InChI=1S/C17H25N5O3/c23-8-13-12(24)7-14(25-13)22-10-20-15-16(18-9-19-17(15)22)21-11-5-3-1-2-4-6-11/h9-14,23-24H,1-8H2,(H,18,19,21)/t12-,13+,14+/m0/s1
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n/an/an/an/a 1.37E+4n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369631
PNG
(CHEMBL1790734)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1
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n/an/an/an/a 1.56E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369058
PNG
(CHEMBL611851)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C18H26N4O4/c23-9-13-15(24)16(25)18(26-13)22-10-20-14-12(7-8-19-17(14)22)21-11-5-3-1-2-4-6-11/h7-8,10-11,13,15-16,18,23-25H,1-6,9H2,(H,19,21)/t13-,15-,16-,18?/m1/s1
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n/an/an/an/a 6.36E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369629
PNG
(CHEMBL1790733)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1
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n/an/an/an/a 5.76E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation


J Med Chem 43: 250-60 (2000)


BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
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