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2 similar compounds to monomer 26245

Compile data set for download or QSAR
Wt: 308.3
BDBM26232
Wt: 393.4
BDBM26246

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 26232,26246   
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))
BDBM26246
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholi...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-17(12-18(24-20)22-15(3)28)16-4-5-21-19(11-16)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28)
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MMDB

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Article
PubMed
12 -10.7n/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))
BDBM26232
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-y...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
Show InChI InChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
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KEGG

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Article
PubMed
120 -9.34n/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))
BDBM26246
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholi...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-17(12-18(24-20)22-15(3)28)16-4-5-21-19(11-16)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28)
PDB

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Article
PubMed
580n/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))
BDBM26232
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-y...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
Show InChI InChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
PDB

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Article
PubMed
2.10E+3n/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