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Compile Data Set for Download or QSAR

Found 13 hits of ki for monomerid = 50014260   
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 A1


(BOVINE)
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>1.00E+5n/an/an/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 40: 547-58 (1997)


Article DOI: 10.1021/jm9604383
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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PubMed
1.03E+5n/an/an/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 40: 547-58 (1997)


Article DOI: 10.1021/jm9604383
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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1.05E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand


J Med Chem 33: 2818-21 (1990)


BindingDB Entry DOI: 10.7270/Q2C53JVQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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1.05E+5n/an/an/an/an/an/an/an/a



Pharmazeutische Chemie

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand


J Med Chem 36: 3341-9 (1993)


BindingDB Entry DOI: 10.7270/Q26Q1W9W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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PubMed
1.05E+5n/an/an/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism


J Med Chem 40: 547-58 (1997)


Article DOI: 10.1021/jm9604383
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>2.50E+5n/an/an/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of guinea pig tracheal chain, which is the measure of thromboxane receptor antagon...


J Med Chem 40: 547-58 (1997)


Article DOI: 10.1021/jm9604383
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2 receptor from rat striatum using [3H]NECA as radioligand


J Med Chem 33: 2818-21 (1990)


BindingDB Entry DOI: 10.7270/Q2C53JVQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50014260
PNG
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Show SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranes


J Med Chem 33: 2818-21 (1990)


BindingDB Entry DOI: 10.7270/Q2C53JVQ
More data for this
Ligand-Target Pair