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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50036435   
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 A3


(Homo sapiens (Human))
BDBM85775
PNG
(CHEMBL315984 | MRS1097)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+
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108n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50454225
PNG
(CHEMBL2112411)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1\C=C\c1ccccc1)C(=O)OC |c:5,10|
Show InChI InChI=1S/C20H23NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-12,16,21H,5H2,1-4H3/b12-11+
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670n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50035800
PNG
((S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phen...)
Show SMILES COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13H,1-3H3,(H,20,22)
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785n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50454227
PNG
(CHEMBL2112340)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10|
Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3
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940n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50034682
PNG
((R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-py...)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,41H,11,18-23H2,1-3H3/t33-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052391
PNG
(2,6-Dimethyl-4-phenethyl-1,4-dihydro-pyridine-3,5-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C20H25NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16-17H,5,11-12H2,1-4H3
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2.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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2.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454226
PNG
(CHEMBL2063640)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10|
Show InChI InChI=1S/C18H21NO4/c1-5-23-18(21)15-12(3)19-11(2)14(17(20)22-4)16(15)13-9-7-6-8-10-13/h6-10,16,19H,5H2,1-4H3
PDB
MMDB

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2.74E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052396
PNG
(4-(4-Methoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H23NO5/c1-6-25-19(22)16-12(3)20-11(2)15(18(21)24-5)17(16)13-7-9-14(23-4)10-8-13/h7-10,15,17H,6H2,1-5H3
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2.75E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50035800
PNG
((S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phen...)
Show SMILES COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13H,1-3H3,(H,20,22)
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2.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052393
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3
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2.78E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50034683
PNG
((S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-py...)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,41H,11,18-23H2,1-3H3/t33-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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2.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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3.25E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
PDB

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3.34E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052384
PNG
(4-Benzo[1,3]dioxol-5-yl-2,6-dimethyl-1,4-dihydro-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H21NO6/c1-5-24-19(22)16-11(3)20-10(2)15(18(21)23-4)17(16)12-6-7-13-14(8-12)26-9-25-13/h6-8,15,17H,5,9H2,1-4H3
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3.66E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052396
PNG
(4-(4-Methoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H23NO5/c1-6-25-19(22)16-12(3)20-11(2)15(18(21)24-5)17(16)13-7-9-14(23-4)10-8-13/h7-10,15,17H,6H2,1-5H3
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4.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM85775
PNG
(CHEMBL315984 | MRS1097)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+
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4.16E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A3 receptor from CHO cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052380
PNG
(2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-12,15H,5-6H2,1-4H3
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4.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052384
PNG
(4-Benzo[1,3]dioxol-5-yl-2,6-dimethyl-1,4-dihydro-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H21NO6/c1-5-24-19(22)16-11(3)20-10(2)15(18(21)23-4)17(16)12-6-7-13-14(8-12)26-9-25-13/h6-8,15,17H,5,9H2,1-4H3
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4.58E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM85775
PNG
(CHEMBL315984 | MRS1097)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+
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4.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50052384
PNG
(4-Benzo[1,3]dioxol-5-yl-2,6-dimethyl-1,4-dihydro-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H21NO6/c1-5-24-19(22)16-11(3)20-10(2)15(18(21)23-4)17(16)12-6-7-13-14(8-12)26-9-25-13/h6-8,15,17H,5,9H2,1-4H3
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5.27E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Rattus norvegicus)
BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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5.36E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace radioligand from Na+ independent Adenosine transporter in rat


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454227
PNG
(CHEMBL2112340)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10|
Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3
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5.39E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50014007
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,17H,5,11-12H2,1-4H3
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5.56E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052394
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OC |w:22.24,c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-6-8-13(9-7-12)20(23)24/h6-9,16,21H,5H2,1-4H3
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5.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM85775
PNG
(CHEMBL315984 | MRS1097)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+
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5.93E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50035800
PNG
((S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phen...)
Show SMILES COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13H,1-3H3,(H,20,22)
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6.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A3 receptor from CHO cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052393
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3
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6.45E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014007
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,17H,5,11-12H2,1-4H3
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6.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052388
PNG
(2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
Show InChI InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11-12H,6-8H2,1-5H3
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6.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50035800
PNG
((S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phen...)
Show SMILES COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13H,1-3H3,(H,20,22)
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6.66E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052382
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C19H20F3NO4/c1-5-27-18(25)15-11(3)23-10(2)14(17(24)26-4)16(15)12-8-6-7-9-13(12)19(20,21)22/h6-9,14,16H,5H2,1-4H3
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6.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50052391
PNG
(2,6-Dimethyl-4-phenethyl-1,4-dihydro-pyridine-3,5-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C20H25NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16-17H,5,11-12H2,1-4H3
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6.71E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052383
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C13H19NO4/c1-6-18-13(16)11-7(2)10(12(15)17-5)8(3)14-9(11)4/h7,10H,6H2,1-5H3
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6.95E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50014007
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,17H,5,11-12H2,1-4H3
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7.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052380
PNG
(2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-12,15H,5-6H2,1-4H3
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7.24E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052390
PNG
(4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C14H21NO4/c1-6-10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-7-2/h10-11H,6-7H2,1-5H3
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7.52E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052386
PNG
(4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihy...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
Show InChI InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17-18H,8-9,11-12H2,1-7H3
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7.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052388
PNG
(2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
Show InChI InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11-12H,6-8H2,1-5H3
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8.17E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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8.29E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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8.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318493
PNG
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
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8.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052391
PNG
(2,6-Dimethyl-4-phenethyl-1,4-dihydro-pyridine-3,5-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C20H25NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16-17H,5,11-12H2,1-4H3
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8.81E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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8.96E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052386
PNG
(4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihy...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
Show InChI InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17-18H,8-9,11-12H2,1-7H3
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9.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50052390
PNG
(4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C14H21NO4/c1-6-10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-7-2/h10-11H,6-7H2,1-5H3
PDB
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9.56E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50052393
PNG
(2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...)
Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3
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9.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50052397
PNG
(2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...)
Show SMILES CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4|
Show InChI InChI=1S/C17H27NO4/c1-6-9-10-13-15(17(20)22-8-3)11(4)14(12(5)18-13)16(19)21-7-2/h11,14H,6-10H2,1-5H3
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1.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454226
PNG
(CHEMBL2063640)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10|
Show InChI InChI=1S/C18H21NO4/c1-5-23-18(21)15-12(3)19-11(2)14(17(20)22-4)16(15)13-9-7-6-8-10-13/h6-10,16,19H,5H2,1-4H3
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1.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
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