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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'trincavellic' and Initial = 'ml'   
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 A1 receptor


(BOVINE)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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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0.460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120441
PNG
(1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14|
Show InChI InChI=1S/C23H27N3O2/c27-16-13-20-10-4-5-14-25(20)23(28)12-11-19-9-6-15-26-22(19)17-21(24-26)18-7-2-1-3-8-18/h1-3,6-9,11-12,15,20,22,27H,4-5,10,13-14,16-17H2/t20-,22?/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


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



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50051672
PNG
(2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]...)
Show SMILES C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-16(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)21-22(25)26-23(27-24(21)28)18-12-6-3-7-13-18/h2-16H,1H3,(H2,25,26,27)/t16-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50079654
PNG
(4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...)
Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50004575
PNG
(CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...)
Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120447
PNG
(CHEMBL145058 | Cyclopentyl-(1-methyl-imidazo[1,2-a...)
Show SMILES Cc1cnc2c(NC3CCCC3)nc3ccccc3n12
Show InChI InChI=1S/C16H18N4/c1-11-10-17-16-15(18-12-6-2-3-7-12)19-13-8-4-5-9-14(13)20(11)16/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50008387
PNG
(CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120446
PNG
(8-Chloro-2-(2-fluoro-phenyl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1F
Show InChI InChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50003018
PNG
(8-(3-Oxo-cyclopentyl)-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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19.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120449
PNG
(2-(9-Phenyl-6-propylsulfanyl-9H-purin-2-ylsulfanyl...)
Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-14-16(21-18(22-17)26-13(4-2)15(19)24)23(11-20-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,24)
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29.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against bovine Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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69.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104330
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3
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90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104330
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against bovine Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104330
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3
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98.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104335
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-propylamino-1H-pyraz...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C20H23ClN4O2/c1-3-10-22-18-15-12-24-25(13-17(21)14-8-6-5-7-9-14)19(15)23-11-16(18)20(26)27-4-2/h5-9,11-12,17H,3-4,10,13H2,1-2H3,(H,22,23)
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100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120444
PNG
(2-(4-Methoxy-phenyl)-5,6-dimethyl-7-(1-phenyl-ethy...)
Show SMILES COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n(C(C)c3ccccc3)c2n1
Show InChI InChI=1S/C23H24N4O/c1-14-15(2)27(16(3)17-8-6-5-7-9-17)23-20(14)21(24)25-22(26-23)18-10-12-19(28-4)13-11-18/h5-13,16H,1-4H3,(H2,24,25,26)
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101n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104330
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3
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103n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104339
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-cyclopropylamino-1H-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C20H21ClN4O2/c1-2-27-20(26)16-10-22-19-15(18(16)24-14-8-9-14)11-23-25(19)12-17(21)13-6-4-3-5-7-13/h3-7,10-11,14,17H,2,8-9,12H2,1H3,(H,22,24)
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112n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104337
PNG
(4-Benzylamino-1-(2-chloro-2-phenyl-ethyl)-1H-pyraz...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C24H23ClN4O2/c1-2-31-24(30)20-14-27-23-19(22(20)26-13-17-9-5-3-6-10-17)15-28-29(23)16-21(25)18-11-7-4-8-12-18/h3-12,14-15,21H,2,13,16H2,1H3,(H,26,27)
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139n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50104330
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3
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140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104340
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-(2-ethoxy-ethylamino...)
Show SMILES CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C21H25ClN4O3/c1-3-28-11-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)29-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)
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151n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50015509
PNG
(5-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-1,6-dihyd...)
Show SMILES Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O/c1-6-10-11(19(2)18-6)13(20)17-12(16-10)8-4-3-7(14)5-9(8)15/h3-5H,15H2,1-2H3,(H,16,17,20)
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176n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104336
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenylamino-1H-pyraz...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1Nc1ccccc1
Show InChI InChI=1S/C23H21ClN4O2/c1-2-30-23(29)19-13-25-22-18(21(19)27-17-11-7-4-8-12-17)14-26-28(22)15-20(24)16-9-5-3-6-10-16/h3-14,20H,2,15H2,1H3,(H,25,27)
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348n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120443
PNG
(1-(2-Chloro-3-phenoxy-propyl)-4-phenethylamino-1H-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O3/c1-2-33-26(32)23-15-29-25-22(24(23)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-20(27)18-34-21-11-7-4-8-12-21/h3-12,15-16,20H,2,13-14,17-18H2,1H3,(H,28,29)
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456n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104331
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-morpholin-4-yl-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
Show InChI InChI=1S/C21H23ClN4O3/c1-2-29-21(27)17-12-23-20-16(19(17)25-8-10-28-11-9-25)13-24-26(20)14-18(22)15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3
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470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120451
PNG
(CHEMBL144032 | Cyclopentyl-(9-methyl-5,9-dihydro-4...)
Show SMILES CN1CNc2c1ncnc2NC1CCCC1
Show InChI InChI=1S/C11H17N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6,8,14H,2-5,7H2,1H3,(H,12,13,15)
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540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50094592
PNG
(9-Phenyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-1,3,...)
Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120442
PNG
(1-(2-Chloro-3-phenoxy-propyl)-4-cyclopropylamino-1...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O3/c1-2-28-21(27)18-10-23-20-17(19(18)25-15-8-9-15)11-24-26(20)12-14(22)13-29-16-6-4-3-5-7-16/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3,(H,23,25)
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120448
PNG
(4-Butylamino-1-(2-chloro-3-phenoxy-propyl)-1H-pyra...)
Show SMILES CCCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C22H27ClN4O3/c1-3-5-11-24-20-18-13-26-27(21(18)25-12-19(20)22(28)29-4-2)14-16(23)15-30-17-9-7-6-8-10-17/h6-10,12-13,16H,3-5,11,14-15H2,1-2H3,(H,24,25)
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1.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120452
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-cyclohexylamino-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CCCCC1
Show InChI InChI=1S/C23H27ClN4O2/c1-2-30-23(29)19-13-25-22-18(21(19)27-17-11-7-4-8-12-17)14-26-28(22)15-20(24)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17,20H,2,4,7-8,11-12,15H2,1H3,(H,25,27)
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1.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50104338
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-(4-methyl-piperazin-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCN(C)CC1
Show InChI InChI=1S/C22H26ClN5O2/c1-3-30-22(29)18-13-24-21-17(20(18)27-11-9-26(2)10-12-27)14-25-28(21)15-19(23)16-7-5-4-6-8-16/h4-8,13-14,19H,3,9-12,15H2,1-2H3
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2.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from Adenosine A2A receptor in bovine striatal membrane


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120450
PNG
(1-(2-Chloro-3-phenoxy-propyl)-4-(2-ethoxy-ethylami...)
Show SMILES CCOCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C22H27ClN4O4/c1-3-29-11-10-24-20-18-13-26-27(21(18)25-12-19(20)22(28)30-4-2)14-16(23)15-31-17-8-6-5-7-9-17/h5-9,12-13,16H,3-4,10-11,14-15H2,1-2H3,(H,24,25)
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2.69E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120453
PNG
(1-(2-Chloro-3-phenoxy-propyl)-4-cyclohexylamino-1H...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CCCCC1
Show InChI InChI=1S/C24H29ClN4O3/c1-2-31-24(30)21-13-26-23-20(22(21)28-18-9-5-3-6-10-18)14-27-29(23)15-17(25)16-32-19-11-7-4-8-12-19/h4,7-8,11-14,17-18H,2-3,5-6,9-10,15-16H2,1H3,(H,26,28)
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3.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104332
PNG
(4-Butylamino-1-(2-chloro-2-phenyl-ethyl)-1H-pyrazo...)
Show SMILES CCCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C21H25ClN4O2/c1-3-5-11-23-19-16-13-25-26(14-18(22)15-9-7-6-8-10-15)20(16)24-12-17(19)21(27)28-4-2/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H,23,24)
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120445
PNG
(1-Methyl-4-phenethylamino-1H-pyrazolo[3,4-b]pyridi...)
Show SMILES CCOC(=O)c1cnc2n(C)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C18H20N4O2/c1-3-24-18(23)15-11-20-17-14(12-21-22(17)2)16(15)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20)
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PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104333
PNG
(4-tert-Butylamino-1-(2-chloro-2-phenyl-ethyl)-1H-p...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC(C)(C)C
Show InChI InChI=1S/C21H25ClN4O2/c1-5-28-20(27)16-11-23-19-15(18(16)25-21(2,3)4)12-24-26(19)13-17(22)14-9-7-6-8-10-14/h6-12,17H,5,13H2,1-4H3,(H,23,25)
PDB

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UniChem
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair