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Compile Data Set for Download or QSAR

Found 53 hits from Cadus Pharmaceutical Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards rat A1 receptor was determined


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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7n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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12n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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23n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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25n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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70n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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132n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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144n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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215n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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754n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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771n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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811n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080290
PNG
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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896n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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951n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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962n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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981n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 13n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human A1 receptor (hA1) on membranes from yeast cells


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 14n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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n/an/a 40n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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n/an/a 49n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human A2 receptor (hA2) was measured through displacement of [3H]-CGS-21,680 using yeast cell membranes


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50067643
PNG
(CHEMBL327958 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C27H45N4O8P/c1-7-9-15-31(16-10-8-2)27(35)19(5)28-26(34)24(18(3)4)30-25(33)23(29-20(6)32)17-21-11-13-22(14-12-21)39-40(36,37)38/h11-14,18-19,23-24H,7-10,15-17H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H2,36,37,38)/t19-,23-,24-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDGF-beta receptor binding to p85 SH2-domain


Bioorg Med Chem Lett 8: 2813-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00503-4
BindingDB Entry DOI: 10.7270/Q22R3QTD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 217n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 222n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 261n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 262n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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n/an/a 364n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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n/an/a 422n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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n/an/a 604n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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n/an/a 725n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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n/an/a 1.54E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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n/an/a 1.62E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human A1 receptor (hA1) was measured through displacement of [3H]-DPCPX using yeast cell membranes


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080290
PNG
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080290
PNG
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (human))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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n/an/a 2.06E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human A1 receptor (hA1) was measured through displacement of [3H]-DPCPX using mammalian cell membranes


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50080290
PNG
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
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