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6 similar compounds to monomer 26239

Compile data set for download or QSAR
Wt: 338.3
BDBM26237
Wt: 324.3
BDBM26238
Wt: 423.4
BDBM26240
Wt: 352.3
BDBM26241
Wt: 354.3
BDBM26242
Wt: 368.3
BDBM26243

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 26237,26238,26240,26241,26242,26243   
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 A2


(Homo sapiens (Human))
BDBM26241
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
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1.80 -11.8n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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2.30 -11.7n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells


J Med Chem 52: 709-17 (2009)


Article DOI: 10.1021/jm800908d
BindingDB Entry DOI: 10.7270/Q2PG1RKR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26238
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
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2.90 -11.5n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26240
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...)
Show SMILES COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
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4 -11.3n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26242
PNG
(methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-me...)
Show SMILES COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)
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7.40 -11.0n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26243
PNG
(ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-met...)
Show SMILES CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
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7.80 -10.9n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26241
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
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70n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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190n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26238
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
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195n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26243
PNG
(ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-met...)
Show SMILES CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
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620n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26242
PNG
(methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-me...)
Show SMILES COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)
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780n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM26240
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...)
Show SMILES COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
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940n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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n/an/a 85n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor assessed as inhibition of CGS-21680-stimulated cAMP production


J Med Chem 52: 709-17 (2009)


Article DOI: 10.1021/jm800908d
BindingDB Entry DOI: 10.7270/Q2PG1RKR
More data for this
Ligand-Target Pair