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Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'jiang' and Initial = 'jl'   
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))
BDBM85776
PNG
(CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
Show InChI InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26-27H,3,21H2,1-2H3
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054674
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-1,4-dihydro-pyrid...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
Show InChI InChI=1S/C31H29NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-20,26-27H,3,21H2,1-2H3/b20-19+
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58n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054682
PNG
(2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...)
Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-9-7-6-8-10-19)23(26(30)34-5-2)21(22)16-13-18-11-14-20(15-12-18)28(31)32/h6-16,21,30H,4-5H2,1-3H3/b16-13+,26-23-
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59n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054679
PNG
(2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...)
Show SMILES CCOC(=[OH+])C1=C(C)N=C(\C(C1\C=C\c1ccc(cc1)[N+]([O-])=O)=C(\[O-])OCc1ccccc1)c1ccccc1 |c:5,8|
Show InChI InChI=1S/C31H28N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(31(35)39-20-23-10-6-4-7-11-23)26(27)19-16-22-14-17-25(18-15-22)33(36)37/h4-19,26,35H,3,20H2,1-2H3/b19-16+,31-28-
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72n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054684
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
Show InChI InChI=1S/C26H25NO4/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/h6-15,21-22H,4-5H2,1-3H3
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77n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
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
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
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))
BDBM50054685
PNG
(2-Methyl-4-[(E)-2-(2-nitro-phenyl)-vinyl]-6-phenyl...)
Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-7-6-8-13-19)23(26(30)34-5-2)20(22)16-15-18-11-9-10-14-21(18)28(31)32/h6-16,20,30H,4-5H2,1-3H3/b16-15+,26-23-
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109n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054689
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-1,4-dihydro-pyrid...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27|
Show InChI InChI=1S/C31H29NO4/c1-3-35-31(34)28-26(20-19-23-13-7-4-8-14-23)27(30(33)36-21-24-15-9-5-10-16-24)22(2)32-29(28)25-17-11-6-12-18-25/h4-20,26,28H,3,21H2,1-2H3/b20-19+
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142n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054687
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27|
Show InChI InChI=1S/C31H27NO4/c1-3-35-31(34)28-26(20-19-23-13-7-4-8-14-23)27(30(33)36-21-24-15-9-5-10-16-24)22(2)32-29(28)25-17-11-6-12-18-25/h4-18,26,28H,3,21H2,1-2H3
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169n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054668
PNG
(4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+
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198n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054670
PNG
(2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...)
Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:33,t:30|
Show InChI InChI=1S/C31H28N2O6/c1-3-38-31(35)28-26(19-16-22-14-17-25(18-15-22)33(36)37)27(30(34)39-20-23-10-6-4-7-11-23)21(2)32-29(28)24-12-8-5-9-13-24/h4-19,26,35H,3,20H2,1-2H3/b19-16+,31-28-
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286n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051337
PNG
(2-Phenyl-3,5,7-tripropoxy-chromen-4-one | CHEMBL76...)
Show SMILES CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
Show InChI InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3
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317n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054671
PNG
(4-[(E)-2-(2-Methoxy-phenyl)-vinyl]-2-methyl-6-phen...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
Show InChI InChI=1S/C27H29NO5/c1-5-32-26(29)23-18(3)28-25(20-13-8-7-9-14-20)24(27(30)33-6-2)21(23)17-16-19-12-10-11-15-22(19)31-4/h7-17,21,23H,5-6H2,1-4H3/b17-16+
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334n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051347
PNG
(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
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364n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054667
PNG
(2-Methyl-4-((E)-styryl)-6-thiophen-3-yl-1,4-dihydr...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23|
Show InChI InChI=1S/C24H25NO4S/c1-4-28-23(26)20-16(3)25-22(18-13-14-30-15-18)21(24(27)29-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+
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407n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50049384
PNG
(3,5,7-Trimethoxy-2-phenyl-chromen-4-one | CHEMBL75...)
Show SMILES COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
Show InChI InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
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509n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051342
PNG
(3,6-Dichloro-2-(2-isobutoxy-4-methyl-phenyl)-chrom...)
Show SMILES CC(C)COc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
Show InChI InChI=1S/C20H18Cl2O3/c1-11(2)10-24-17-8-12(3)4-6-14(17)20-18(22)19(23)15-9-13(21)5-7-16(15)25-20/h4-9,11H,10H2,1-3H3
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561n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051347
PNG
(3,5,7-Triethoxy-2-phenyl-chromen-4-one | CHEMBL728...)
Show SMILES CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
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603n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
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 A3


(Homo sapiens (Human))
BDBM50051334
PNG
(3,6-Dichloro-2-phenyl-chromen-4-one | 3,6-dichloro...)
Show SMILES Clc1ccc2oc(-c3ccccc3)c(Cl)c(=O)c2c1
Show InChI InChI=1S/C15H8Cl2O2/c16-10-6-7-12-11(8-10)14(18)13(17)15(19-12)9-4-2-1-3-5-9/h1-8H
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741n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051336
PNG
(3,7-Diethoxy-5-hydroxy-2-phenyl-chromen-4-one | CH...)
Show SMILES CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C19H18O5/c1-3-22-13-10-14(20)16-15(11-13)24-18(12-8-6-5-7-9-12)19(17(16)21)23-4-2/h5-11,20H,3-4H2,1-2H3
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748n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054688
PNG
(2-(4-Chloro-phenyl)-6-methyl-4-((E)-styryl)-1,4-di...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(Cl)cc1 |c:21,23|
Show InChI InChI=1S/C26H26ClNO4/c1-4-31-25(29)22-17(3)28-24(19-12-14-20(27)15-13-19)23(26(30)32-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21-22H,4-5H2,1-3H3/b16-11+
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785n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
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 A1


(Rattus norvegicus (rat))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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863n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM67935
PNG
(2,6-dimethyl-4-[(E)-2-phenylethenyl]-1,4-dihydropy...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
Show InChI InChI=1S/C21H25NO4/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)13-12-16-10-8-7-9-11-16/h7-13,17-18H,5-6H2,1-4H3/b13-12+
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887n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054672
PNG
(2-Furan-3-yl-6-methyl-4-((E)-styryl)-1,4-dihydro-p...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23|
Show InChI InChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+
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907n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
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 A1


(Rattus norvegicus (rat))
BDBM50051337
PNG
(2-Phenyl-3,5,7-tripropoxy-chromen-4-one | CHEMBL76...)
Show SMILES CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
Show InChI InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051338
PNG
(4-Ethoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one |...)
Show SMILES CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
Show InChI InChI=1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
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1.16E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50054669
PNG
(4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihyd...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30|
Show InChI InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27-28H,4-5H2,1-3H3
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50049384
PNG
(3,5,7-Trimethoxy-2-phenyl-chromen-4-one | CHEMBL75...)
Show SMILES COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
Show InChI InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
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1.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054669
PNG
(4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihyd...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30|
Show InChI InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27-28H,4-5H2,1-3H3
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1.42E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054686
PNG
(2-(4-Methoxy-phenyl)-6-methyl-4-((E)-styryl)-1,4-d...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23|
Show InChI InChI=1S/C27H29NO5/c1-5-32-26(29)23-18(3)28-25(20-13-15-21(31-4)16-14-20)24(27(30)33-6-2)22(23)17-12-19-10-8-7-9-11-19/h7-17,22-23H,5-6H2,1-4H3/b17-12+
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1.43E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054666
PNG
(2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21|
Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3
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1.75E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051336
PNG
(3,7-Diethoxy-5-hydroxy-2-phenyl-chromen-4-one | CH...)
Show SMILES CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
Show InChI InChI=1S/C19H18O5/c1-3-22-13-10-14(20)16-15(11-13)24-18(12-8-6-5-7-9-12)19(17(16)21)23-4-2/h5-11,20H,3-4H2,1-2H3
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1.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/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/h6-17H,4-5H2,1-3H3/b17-16+
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2.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051354
PNG
(3-Chloro-2-phenyl-chromen-4-one | CHEMBL74975)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
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2.48E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/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/h6-17H,4-5H2,1-3H3/b17-16+
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2.49E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
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 receptor A1


(Rattus norvegicus (rat))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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2.64E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50049399
PNG
(2-(2,4-Dimethoxy-phenyl)-3,5,7-trimethoxy-chromen-...)
Show SMILES COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
Show InChI InChI=1S/C20H20O7/c1-22-11-6-7-13(14(8-11)24-3)19-20(26-5)18(21)17-15(25-4)9-12(23-2)10-16(17)27-19/h6-10H,1-5H3
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2.65E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
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
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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))
BDBM50054677
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
Show InChI InChI=1S/C31H25NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18H,3,21H2,1-2H3
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2.75E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
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
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
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
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