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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50545320   
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))
BDBM50545320
PNG
(CHEMBL4632626)
Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C24H23N7O5S2/c25-20-19-22(37-21(27-19)16-5-3-11-36-16)29-24(28-20)30-9-7-14(8-10-30)12-26-18(32)13-31-23(33)15-4-1-2-6-17(15)38(31,34)35/h1-6,11,14H,7-10,12-13H2,(H,26,32)(H2,25,28,29)
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PC sid
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488n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241383 from human A2AR expressed in CHO cells by competitive binding assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127067
BindingDB Entry DOI: 10.7270/Q26M3BFS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50545320
PNG
(CHEMBL4632626)
Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C24H23N7O5S2/c25-20-19-22(37-21(27-19)16-5-3-11-36-16)29-24(28-20)30-9-7-14(8-10-30)12-26-18(32)13-31-23(33)15-4-1-2-6-17(15)38(31,34)35/h1-6,11,14H,7-10,12-13H2,(H,26,32)(H2,25,28,29)
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1.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by competitive binding assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127067
BindingDB Entry DOI: 10.7270/Q26M3BFS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50545320
PNG
(CHEMBL4632626)
Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C24H23N7O5S2/c25-20-19-22(37-21(27-19)16-5-3-11-36-16)29-24(28-20)30-9-7-14(8-10-30)12-26-18(32)13-31-23(33)15-4-1-2-6-17(15)38(31,34)35/h1-6,11,14H,7-10,12-13H2,(H,26,32)(H2,25,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MEGA from human A3R expressed in CHO cells by competitive binding assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127067
BindingDB Entry DOI: 10.7270/Q26M3BFS
More data for this
Ligand-Target Pair