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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 175384   
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 A2a


(Homo sapiens (Human))
BDBM175384
PNG
(1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
509n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.003
BindingDB Entry DOI: 10.7270/Q2C53JN1
More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175384
PNG
(1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.89E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.003
BindingDB Entry DOI: 10.7270/Q2C53JN1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM175384
PNG
(1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)
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PC cid
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UniChem

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Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.003
BindingDB Entry DOI: 10.7270/Q2C53JN1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM175384
PNG
(1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.003
BindingDB Entry DOI: 10.7270/Q2C53JN1
More data for this
Ligand-Target Pair