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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'patchornik' and Initial = 'a'   
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))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059414
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
Show InChI InChI=1S/C31H24N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18H,3,20H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059378
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=[OH+])C1=C(C)N=C(\C(C1C#Cc1ccccc1)=C(\[O-])OCc1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)39-20-23-13-10-16-25(19-23)33(36)37/h4-16,19,26,35H,3,20H2,1-2H3/b31-28-
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8.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059376
PNG
(9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...)
Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1
Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
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13n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059413
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(F)(F)F)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H26F3NO4/c1-3-39-30(37)27-21(2)36-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(38)40-20-23-14-17-25(18-15-23)32(33,34)35/h4-15,17-18,26-27H,3,20H2,1-2H3
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059394
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=[OH+])C1=C(C)N=C(\C(C1C#Cc1ccccc1)=C(\[O-])OCc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C31H25N3O8/c1-3-41-30(35)27-20(2)32-29(23-12-8-5-9-13-23)28(26(27)15-14-21-10-6-4-7-11-21)31(36)42-19-22-16-24(33(37)38)18-25(17-22)34(39)40/h4-13,16-18,26,36H,3,19H2,1-2H3/b31-28-
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36n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059374
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C33H25F6NO4/c1-3-43-30(41)27-20(2)40-29(23-12-8-5-9-13-23)28(26(27)15-14-21-10-6-4-7-11-21)31(42)44-19-22-16-24(32(34,35)36)18-25(17-22)33(37,38)39/h4-13,16-18,26-27H,3,19H2,1-2H3
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37n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
PDB
MMDB

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52n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059404
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(C)c2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(26-16-9-6-10-17-26)29(27(28)19-18-24-13-7-5-8-14-24)32(35)37-21-25-15-11-12-22(2)20-25/h5-17,20,27-28H,4,21H2,1-3H3
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52n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059398
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC[Si](C)(C)C)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C29H33NO4Si/c1-6-33-28(31)25-21(2)30-27(23-15-11-8-12-16-23)26(29(32)34-19-20-35(3,4)5)24(25)18-17-22-13-9-7-10-14-22/h7-16,24-25H,6,19-20H2,1-5H3
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60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059399
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-3-21-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-25-15-9-5-10-16-25/h4-18,27-28H,3,21-22H2,1-2H3
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68n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059412
PNG
(2-Ethyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyrid...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1CC)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-3-27-28(31(34)36-4-2)26(21-20-23-14-8-5-9-15-23)29(30(33-27)25-18-12-7-13-19-25)32(35)37-22-24-16-10-6-11-17-24/h5-19,26,28H,3-4,22H2,1-2H3
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70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059377
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C33H31NO4/c1-3-37-32(35)29-24(2)34-31(27-19-11-6-12-20-27)30(28(29)22-21-26-16-9-5-10-17-26)33(36)38-23-13-18-25-14-7-4-8-15-25/h4-12,14-17,19-20,28-29H,3,13,18,23H2,1-2H3
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76n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059382
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(I)c2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C31H26INO4/c1-3-36-30(34)27-21(2)33-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)37-20-23-13-10-16-25(32)19-23/h4-16,19,26-27H,3,20H2,1-2H3
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94n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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 specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059387
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(C)cc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(26-13-9-6-10-14-26)29(27(28)20-19-24-11-7-5-8-12-24)32(35)37-21-25-17-15-22(2)16-18-25/h5-18,27-28H,4,21H2,1-3H3
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110n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059403
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2C)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(25-16-9-6-10-17-25)29(27(28)20-19-24-14-7-5-8-15-24)32(35)37-21-26-18-12-11-13-22(26)2/h5-18,27-28H,4,21H2,1-3H3
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112n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059406
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-3-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-21-25-15-9-5-10-16-25/h4-18,27-28H,3,21-22H2,1-2H3
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146n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059411
PNG
(2-Methyl-6-phenyl-4-m-tolylethynyl-1,4-dihydro-pyr...)
Show SMILES CCOC(=O)C1C(C#Cc2cccc(C)c2)C(C(=O)OCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C27H27NO4/c1-5-31-26(29)23-19(4)28-25(21-13-8-7-9-14-21)24(27(30)32-6-2)22(23)16-15-20-12-10-11-18(3)17-20/h7-14,17,22-23H,5-6H2,1-4H3
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220n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059381
PNG
(5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-phenyl...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)SCC)c1ccccc1
Show InChI InChI=1/C26H25NO3S/c1-4-30-25(28)23-21(17-16-19-12-8-6-9-13-19)22(26(29)31-5-2)18(3)27-24(23)20-14-10-7-11-15-20/h6-15,21-22H,4-5H2,1-3H3
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290n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059389
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(C)N=C1c1ccccc1
Show InChI InChI=1/C27H26N2O6/c1-4-17-35-26(30)23-18(3)28-25(20-9-7-6-8-10-20)24(27(31)34-5-2)22(23)16-13-19-11-14-21(15-12-19)29(32)33/h4,6-16,22,31H,1,5,17H2,2-3H3/b16-13+,27-24-
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296n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
PDB

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305n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-(R)-PIA binding at adenosine A1 receptor from rat brain membranes.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059402
PNG
(4-Benzofuran-2-yl-2-methyl-6-phenyl-1,4-dihydro-py...)
Show SMILES CCOC(=O)C1C(c2cc3ccccc3o2)C(C(=O)OCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C26H25NO5/c1-4-30-25(28)21-16(3)27-24(17-11-7-6-8-12-17)23(26(29)31-5-2)22(21)20-15-18-13-9-10-14-19(18)32-20/h6-15,21-22H,4-5H2,1-3H3
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314n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059384
PNG
(5-Oxo-2-phenyl-4-phenylethynyl-1,4,5,6,7,8-hexahyd...)
Show SMILES CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C#Cc1ccccc1)c1ccccc1
Show InChI InChI=1/C26H23NO3/c1-2-30-26(29)24-20(17-16-18-10-5-3-6-11-18)23-21(14-9-15-22(23)28)27-25(24)19-12-7-4-8-13-19/h3-8,10-13,20,23H,2,9,14-15H2,1H3
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443n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059379
PNG
(4-Furan-2-yl-2-methyl-6-phenyl-1,4-dihydro-pyridin...)
Show SMILES CCOC(=O)C1C(c2ccco2)C(C(=O)OCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C22H23NO5/c1-4-26-21(24)17-14(3)23-20(15-10-7-6-8-11-15)19(22(25)27-5-2)18(17)16-12-9-13-28-16/h6-13,17-18H,4-5H2,1-3H3
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507n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053924
PNG
(3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chro...)
Show SMILES CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
Show InChI InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3
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560n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059380
PNG
(5-Ethylsulfanylcarbonyl-2-methyl-6-phenyl-4-phenyl...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)SCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C26H25NO3S/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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567n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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 specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059400
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1/C28H29NO4/c1-6-32-26(30)24-22(18-17-20-13-9-7-10-14-20)23(27(31)33-28(3,4)5)19(2)29-25(24)21-15-11-8-12-16-21/h7-16,22-23H,6H2,1-5H3
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1.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059410
PNG
(2-Methyl-6-phenyl-4-thiophen-2-yl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C22H23NO4S/c1-4-26-21(24)17-14(3)23-20(15-10-7-6-8-11-15)19(22(25)27-5-2)18(17)16-12-9-13-28-16/h6-13,17-18H,4-5H2,1-3H3
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1.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059399
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-3-21-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-25-15-9-5-10-16-25/h4-18,27-28H,3,21-22H2,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059406
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-3-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-21-25-15-9-5-10-16-25/h4-18,27-28H,3,21-22H2,1-2H3
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1.32E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059377
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C33H31NO4/c1-3-37-32(35)29-24(2)34-31(27-19-11-6-12-20-27)30(28(29)22-21-26-16-9-5-10-17-26)33(36)38-23-13-18-25-14-7-4-8-15-25/h4-12,14-17,19-20,28-29H,3,13,18,23H2,1-2H3
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1.38E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM85776
PNG
(CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/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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1.42E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059404
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(C)c2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(26-16-9-6-10-17-26)29(27(28)19-18-24-13-7-5-8-14-24)32(35)37-21-25-15-11-12-22(2)20-25/h5-17,20,27-28H,4,21H2,1-3H3
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1.52E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059385
PNG
(2-Methyl-4-phenylethynyl-6-trifluoromethyl-1,4-dih...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)C(F)(F)F
Show InChI InChI=1/C21H20F3NO4/c1-4-28-19(26)16-13(3)25-18(21(22,23)24)17(20(27)29-5-2)15(16)12-11-14-9-7-6-8-10-14/h6-10,15-16H,4-5H2,1-3H3
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1.58E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059387
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(C)cc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(26-13-9-6-10-14-26)29(27(28)20-19-24-11-7-5-8-12-24)32(35)37-21-25-17-15-22(2)16-18-25/h5-18,27-28H,4,21H2,1-3H3
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1.69E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059391
PNG
(2-Methyl-4,6-diphenyl-1,4-dihydro-pyridine-3,5-dic...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H25NO4/c1-4-28-23(26)19-16(3)25-22(18-14-10-7-11-15-18)21(24(27)29-5-2)20(19)17-12-8-6-9-13-17/h6-15,19-20H,4-5H2,1-3H3
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1.71E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059383
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC(OC)c2ccccc2)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C33H31NO5/c1-4-38-32(35)29-23(2)34-31(26-18-12-7-13-19-26)30(27(29)21-20-24-14-8-5-9-15-24)33(36)39-22-28(37-3)25-16-10-6-11-17-25/h5-19,27-29H,4,22H2,1-3H3
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1.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059415
PNG
(5-Acetyl-6-methyl-2-phenyl-4-phenylethynyl-1,4-dih...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(C)=O)c1ccccc1
Show InChI InChI=1/C25H23NO3/c1-4-29-25(28)23-21(16-15-19-11-7-5-8-12-19)22(18(3)27)17(2)26-24(23)20-13-9-6-10-14-20/h5-14,21-22H,4H2,1-3H3
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2.27E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059409
PNG
(5-Ethylcarbamoyl-6-methyl-2-phenyl-4-phenylethynyl...)
Show SMILES CCNC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C26H26N2O3/c1-4-27-25(29)22-18(3)28-24(20-14-10-7-11-15-20)23(26(30)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3,(H,27,29)
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2.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059395
PNG
(2-Methyl-4-(4-nitro-phenylethynyl)-6-phenyl-1,4-di...)
Show SMILES CCO\C([O-])=C1\C(C#Cc2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1
Show InChI InChI=1/C26H24N2O6/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/h6-12,14-15,21,30H,4-5H2,1-3H3/b26-23-
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2.58E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
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
Show InChI InChI=1/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 specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in rat striatal membranes.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50059413
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(F)(F)F)=C(N=C1C)c1ccccc1
Show InChI InChI=1/C32H26F3NO4/c1-3-39-30(37)27-21(2)36-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(38)40-20-23-14-17-25(18-15-23)32(33,34)35/h4-15,17-18,26-27H,3,20H2,1-2H3
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3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor in CHO cells


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
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