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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P30542   
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/A2a/A2b/A3


(Homo sapiens (Human))
BDBM50282640
PNG
(CHEMBL4168653)
Show SMILES O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1
Show InChI InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)
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n/an/an/an/a 5.13E+3n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri...


Eur J Med Chem 136: 487-496 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.035
BindingDB Entry DOI: 10.7270/Q2RJ4N1S
More data for this
Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3


(Homo sapiens (Human))
BDBM50282636
PNG
(CHEMBL4163380)
Show SMILES Cc1cc(NC(=O)CNc2ccc3OC(F)(F)Oc3c2)on1
Show InChI InChI=1S/C13H11F2N3O4/c1-7-4-12(22-18-7)17-11(19)6-16-8-2-3-9-10(5-8)21-13(14,15)20-9/h2-5,16H,6H2,1H3,(H,17,19)
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n/an/an/an/a 8.71E+3n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri...


Eur J Med Chem 136: 487-496 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.035
BindingDB Entry DOI: 10.7270/Q2RJ4N1S
More data for this
Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3


(Homo sapiens (Human))
BDBM50282637
PNG
(CHEMBL4167064)
Show SMILES CC(C)c1noc(OCC(=O)NCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C15H17N3O5/c1-9(2)14-17-15(23-18-14)20-7-13(19)16-6-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,6-8H2,1-2H3,(H,16,19)
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n/an/an/an/a 6.17E+4n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri...


Eur J Med Chem 136: 487-496 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.035
BindingDB Entry DOI: 10.7270/Q2RJ4N1S
More data for this
Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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n/an/an/an/a 6.76E+4n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri...


Eur J Med Chem 136: 487-496 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.035
BindingDB Entry DOI: 10.7270/Q2RJ4N1S
More data for this
Ligand-Target Pair