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PubMed code 29627261

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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 A1


(Homo sapiens (Human))
BDBM50271617
PNG
(CHEMBL4129294)
Show SMILES CCn1nc(-c2nccs2)c2sccc2c1=O
Show InChI InChI=1S/C11H9N3OS2/c1-2-14-11(15)7-3-5-16-9(7)8(13-14)10-12-4-6-17-10/h3-6H,2H2,1H3
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PubMed
113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271641
PNG
(CHEMBL4125984)
Show SMILES CCn1nc(-c2cccs2)c2sccc2c1=O
Show InChI InChI=1S/C12H10N2OS2/c1-2-14-12(15)8-5-7-17-11(8)10(13-14)9-4-3-6-16-9/h3-7H,2H2,1H3
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PubMed
724n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271639
PNG
(CHEMBL4129433)
Show SMILES CCn1nc(-c2ccccn2)c2sccc2c1=O
Show InChI InChI=1S/C13H11N3OS/c1-2-16-13(17)9-6-8-18-12(9)11(15-16)10-5-3-4-7-14-10/h3-8H,2H2,1H3
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PubMed
782n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271640
PNG
(CHEMBL4128054)
Show SMILES CC(C)n1nc(-c2ccccn2)c2sccc2c1=O
Show InChI InChI=1S/C14H13N3OS/c1-9(2)17-14(18)10-6-8-19-13(10)12(16-17)11-5-3-4-7-15-11/h3-9H,1-2H3
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PubMed
912n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271642
PNG
(CHEMBL4126960)
Show SMILES O=c1[nH]nc(-c2nccs2)c2sccc12
Show InChI InChI=1S/C9H5N3OS2/c13-8-5-1-3-14-7(5)6(11-12-8)9-10-2-4-15-9/h1-4H,(H,12,13)
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PubMed
1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50271617
PNG
(CHEMBL4129294)
Show SMILES CCn1nc(-c2nccs2)c2sccc2c1=O
Show InChI InChI=1S/C11H9N3OS2/c1-2-14-11(15)7-3-5-16-9(7)8(13-14)10-12-4-6-17-10/h3-6H,2H2,1H3
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PubMed
2.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50271638
PNG
(CHEMBL4127738)
Show SMILES CCn1nc(-c2ccccc2)c2sccc2c1=O
Show InChI InChI=1S/C14H12N2OS/c1-2-16-14(17)11-8-9-18-13(11)12(15-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3
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PubMed
2.59E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABMECA from recombinant human A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271638
PNG
(CHEMBL4127738)
Show SMILES CCn1nc(-c2ccccc2)c2sccc2c1=O
Show InChI InChI=1S/C14H12N2OS/c1-2-16-14(17)11-8-9-18-13(11)12(15-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3
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PubMed
2.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50271639
PNG
(CHEMBL4129433)
Show SMILES CCn1nc(-c2ccccn2)c2sccc2c1=O
Show InChI InChI=1S/C13H11N3OS/c1-2-16-13(17)9-6-8-18-12(9)11(15-16)10-5-3-4-7-14-10/h3-8H,2H2,1H3
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PubMed
2.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271618
PNG
(CHEMBL4129175)
Show SMILES Nn1nc(-c2nccs2)c2sccc2c1=O
Show InChI InChI=1S/C9H6N4OS2/c10-13-9(14)5-1-3-15-7(5)6(12-13)8-11-2-4-16-8/h1-4H,10H2
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PubMed
2.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50271617
PNG
(CHEMBL4129294)
Show SMILES CCn1nc(-c2nccs2)c2sccc2c1=O
Show InChI InChI=1S/C11H9N3OS2/c1-2-14-11(15)7-3-5-16-9(7)8(13-14)10-12-4-6-17-10/h3-6H,2H2,1H3
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PubMed
2.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABMECA from recombinant human A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50271654
PNG
(CHEMBL4126814)
Show SMILES CCc1nn(CC)c(=O)c2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C16H16N2OS/c1-3-13-15-12(16(19)18(4-2)17-13)10-14(20-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
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PubMed
3.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50271642
PNG
(CHEMBL4126960)
Show SMILES O=c1[nH]nc(-c2nccs2)c2sccc12
Show InChI InChI=1S/C9H5N3OS2/c13-8-5-1-3-14-7(5)6(11-12-8)9-10-2-4-15-9/h1-4H,(H,12,13)
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PubMed
3.39E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting me...


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271653
PNG
(CHEMBL4126822)
Show SMILES Nn1nc(-c2cccs2)c2sccc2c1=O
Show InChI InChI=1S/C10H7N3OS2/c11-13-10(14)6-3-5-16-9(6)8(12-13)7-2-1-4-15-7/h1-5H,11H2
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PubMed
3.54E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50271652
PNG
(CHEMBL4126789)
Show SMILES Nn1nc(-c2ccccn2)c2sccc2c1=O
Show InChI InChI=1S/C11H8N4OS/c12-15-11(16)7-4-6-17-10(7)9(14-15)8-3-1-2-5-13-8/h1-6H,12H2
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PubMed
3.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


Bioorg Med Chem Lett 28: 1484-1489 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.086
BindingDB Entry DOI: 10.7270/Q2HD7Z5W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%