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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'barili' and Initial = 'p'   
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)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


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



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090700
PNG
(7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol | 7-bromo-...)
Show SMILES Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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0.700n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
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£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090684
PNG
(7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol | 7-meth...)
Show SMILES COc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054090
PNG
((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054090
PNG
((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054087
PNG
(6-[(3-Amino-propyl)-phenethyl-amino]-5,6,7,8-tetra...)
Show SMILES NCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H28N2O/c22-13-5-14-23(15-12-17-6-2-1-3-7-17)19-10-11-20-18(16-19)8-4-9-21(20)24/h1-4,6-9,19,24H,5,10-16,22H2
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090709
PNG
(7-Fluoro-2-phenyl-[1,8]naphthyridin-4-ol | CHEMBL9...)
Show SMILES Oc1cc(nc2nc(F)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9FN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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4.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090691
PNG
(7-Ethoxy-2-phenyl-[1,8]naphthyridin-4-ol | 7-ethox...)
Show SMILES CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c1-2-20-15-9-8-12-14(19)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19)
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090705
PNG
(7-Methyl-2-phenyl-[1,8]naphthyridin-4-ol | 7-methy...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090683
PNG
(7-Amino-2-phenyl-1H-[1,8]naphthyridin-4-one | 7-Am...)
Show SMILES Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17,18)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50059101
PNG
(2-(4-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054093
PNG
((1R,2R)-2-Amino-1,2-dimethyl-1-phenyl-indan-5,6-di...)
Show SMILES C[C@@]1(N)Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1
Show InChI InChI=1S/C17H19NO2/c1-16(18)10-11-8-14(19)15(20)9-13(11)17(16,2)12-6-4-3-5-7-12/h3-9,19-20H,10,18H2,1-2H3/t16-,17-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090688
PNG
(7-Methyl-2-(4-nitro-phenyl)-[1,8]naphthyridin-4-ol...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-2-7-12-14(19)8-13(17-15(12)16-9)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090690
PNG
(2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-o...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
Show InChI InChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19)
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11n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50080398
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)
Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
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12n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090711
PNG
(2-Phenyl-[1,8]naphthyridin-4-ol | 2-phenyl-1,8-nap...)
Show SMILES Oc1cc(nc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-13-9-12(10-5-2-1-3-6-10)16-14-11(13)7-4-8-15-14/h1-9H,(H,15,16,17)
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090708
PNG
(7-Methyl-2-phenyl-[1,8]naphthyridin-4-ylamine | 7-...)
Show SMILES Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
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17n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054085
PNG
((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366)
Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054085
PNG
((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366)
Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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25n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
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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26n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090701
PNG
(7-Phenoxy-2-phenyl-[1,8]naphthyridin-4-ol | 7-phen...)
Show SMILES Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-18-13-17(14-7-3-1-4-8-14)21-20-16(18)11-12-19(22-20)24-15-9-5-2-6-10-15/h1-13H,(H,21,22,23)
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26n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090704
PNG
(CHEMBL97624 | Cyclohexyl-(7-methyl-2-phenyl-[1,8]n...)
Show SMILES Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-15-12-13-18-20(23-17-10-6-3-7-11-17)14-19(24-21(18)22-15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23,24)
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28n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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49n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
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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63n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50090700
PNG
(7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol | 7-bromo-...)
Show SMILES Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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66n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090685
PNG
(7-Methyl-2-phenyl-[1,8]naphthyridine-4-thiol | CHE...)
Show SMILES Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


Article DOI: 10.1021/jm990321p
BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
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