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Compile Data Set for Download or QSAR

Found 574 hits with Last Name = 'lawrence' and Initial = 'a'   
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))
BDBM50377502
PNG
(CHEMBL406315)
Show SMILES CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1
Show InChI InChI=1S/C12H12N4S2/c1-7-6-18-11(13-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50238959
PNG
(2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidin...)
Show SMILES CC(C)c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377492
PNG
(CHEMBL407650)
Show SMILES CCc1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C11H9N3S2/c1-2-8-13-7-3-5-15-10(7)9(14-8)11-12-4-6-16-11/h3-6H,2H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377491
PNG
(CHEMBL259323)
Show SMILES CCc1nc(-c2nc(C)cs2)c2sccc2n1
Show InChI InChI=1S/C12H11N3S2/c1-3-9-14-8-4-5-16-11(8)10(15-9)12-13-7(2)6-17-12/h4-6H,3H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377501
PNG
(CHEMBL402464)
Show SMILES CN(C)c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C11H10N4S2/c1-15(2)11-13-7-3-5-16-9(7)8(14-11)10-12-4-6-17-10/h3-6H,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377500
PNG
(CHEMBL260718)
Show SMILES OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377475
PNG
(CHEMBL406049)
Show SMILES CC(C)(C)c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C13H13N3S2/c1-13(2,3)12-15-8-4-6-17-10(8)9(16-12)11-14-5-7-18-11/h4-7H,1-3H3
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3.10n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377476
PNG
(CHEMBL260719)
Show SMILES C1CC1c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C12H9N3S2/c1-2-7(1)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H2
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3.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377473
PNG
(CHEMBL406048)
Show SMILES OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377448
PNG
(CHEMBL405234)
Show SMILES OCCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16)
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4.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377483
PNG
(CHEMBL407064)
Show SMILES CN(C)c1nc(-c2ncc(C)s2)c2sccc2n1
Show InChI InChI=1S/C12H12N4S2/c1-7-6-13-11(18-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3
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5.70n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377482
PNG
(CHEMBL259442)
Show SMILES CN(C)c1nc(-c2nc(C)c(C)s2)c2sccc2n1
Show InChI InChI=1S/C13H14N4S2/c1-7-8(2)19-12(14-7)10-11-9(5-6-18-11)15-13(16-10)17(3)4/h5-6H,1-4H3
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6.60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377447
PNG
(CHEMBL405235)
Show SMILES OCCCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17)
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8.10n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377470
PNG
(CHEMBL406932)
Show SMILES FC(F)(F)c1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H
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11n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377484
PNG
(CHEMBL408624)
Show SMILES CCc1nc(-c2cccc(C)n2)c2sccc2n1
Show InChI InChI=1S/C14H13N3S/c1-3-12-16-11-7-8-18-14(11)13(17-12)10-6-4-5-9(2)15-10/h4-8H,3H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377485
PNG
(CHEMBL259337)
Show SMILES CCc1nc(-c2ccccn2)c2sccc2n1
Show InChI InChI=1S/C13H11N3S/c1-2-11-15-10-6-8-17-13(10)12(16-11)9-5-3-4-7-14-9/h3-8H,2H2,1H3
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13n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377481
PNG
(CHEMBL406314)
Show SMILES CN(C)c1nc(-c2nccn2C)c2sccc2n1
Show InChI InChI=1S/C12H13N5S/c1-16(2)12-14-8-4-7-18-10(8)9(15-12)11-13-5-6-17(11)3/h4-7H,1-3H3
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377500
PNG
(CHEMBL260718)
Show SMILES OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m0/s1
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377489
PNG
(CHEMBL406298)
Show SMILES Nc1nc(-c2ccco2)c2sccc2n1
Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377448
PNG
(CHEMBL405234)
Show SMILES OCCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16)
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377465
PNG
(CHEMBL407326)
Show SMILES CCc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3
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16n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377474
PNG
(CHEMBL407638)
Show SMILES OCCNc1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C11H10N4OS2/c16-4-2-13-11-14-7-1-5-17-9(7)8(15-11)10-12-3-6-18-10/h1,3,5-6,16H,2,4H2,(H,13,14,15)
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18n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377479
PNG
(CHEMBL259952)
Show SMILES CN(C)c1nc(-c2ccc(C)cn2)c2sccc2n1
Show InChI InChI=1S/C14H14N4S/c1-9-4-5-10(15-8-9)12-13-11(6-7-19-13)16-14(17-12)18(2)3/h4-8H,1-3H3
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19n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377477
PNG
(CHEMBL260773)
Show SMILES Clc1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C9H4ClN3S2/c10-9-12-5-1-3-14-7(5)6(13-9)8-11-2-4-15-8/h1-4H
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20n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377467
PNG
(CHEMBL408703)
Show SMILES Cc1ccc(o1)C(=O)c1nc(nc2ccsc12)C(F)(F)F
Show InChI InChI=1S/C13H7F3N2O2S/c1-6-2-3-8(20-6)10(19)9-11-7(4-5-21-11)17-12(18-9)13(14,15)16/h2-5H,1H3
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22n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377453
PNG
(CHEMBL405026)
Show SMILES Nc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C11H7N3OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H,(H2,12,13,14)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377451
PNG
(CHEMBL404985)
Show SMILES CCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16)
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25n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377449
PNG
(CHEMBL264433)
Show SMILES O=C(c1cccs1)c1nc(NCc2ccccc2)nc2ccsc12
Show InChI InChI=1S/C18H13N3OS2/c22-16(14-7-4-9-23-14)15-17-13(8-10-24-17)20-18(21-15)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,21)
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25n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377509
PNG
(CHEMBL259953)
Show SMILES CN(C)c1nc(-c2ccccn2)c2sccc2n1
Show InChI InChI=1S/C13H12N4S/c1-17(2)13-15-10-6-8-18-12(10)11(16-13)9-5-3-4-7-14-9/h3-8H,1-2H3
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26n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377466
PNG
(CHEMBL259283)
Show SMILES Cc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3
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29n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377468
PNG
(CHEMBL409547)
Show SMILES FC(F)(F)c1nc(C(=O)c2ccoc2)c2sccc2n1
Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H
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30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377494
PNG
(CHEMBL265695)
Show SMILES CCc1nc(-c2ccco2)c2sccc2n1
Show InChI InChI=1S/C12H10N2OS/c1-2-10-13-8-5-7-16-12(8)11(14-10)9-4-3-6-15-9/h3-7H,2H2,1H3
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30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377447
PNG
(CHEMBL405235)
Show SMILES OCCCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17)
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32n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377452
PNG
(CHEMBL264435)
Show SMILES NNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15)
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33n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377460
PNG
(CHEMBL410498)
Show SMILES FC(F)(F)c1nc(C(=O)c2ccco2)c2sccc2n1
Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H
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33n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377503
PNG
(CHEMBL259111)
Show SMILES Nc1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C9H6N4S2/c10-9-12-5-1-3-14-7(5)6(13-9)8-11-2-4-15-8/h1-4H,(H2,10,12,13)
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35n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377488
PNG
(CHEMBL259445)
Show SMILES CNc1nc(-c2ccco2)c2sccc2n1
Show InChI InChI=1S/C11H9N3OS/c1-12-11-13-7-4-6-16-10(7)9(14-11)8-3-2-5-15-8/h2-6H,1H3,(H,12,13,14)
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40n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377450
PNG
(CHEMBL264436)
Show SMILES CN(C)c1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,1-2H3
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49n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377496
PNG
(CHEMBL265696)
Show SMILES CN(C)c1nc(-c2cccs2)c2sccc2n1
Show InChI InChI=1S/C12H11N3S2/c1-15(2)12-13-8-5-7-17-11(8)10(14-12)9-4-3-6-16-9/h3-7H,1-2H3
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55n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377469
PNG
(CHEMBL258589)
Show SMILES FC(F)(F)c1nc(C(=O)c2ccsc2)c2sccc2n1
Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H
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56n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377474
PNG
(CHEMBL407638)
Show SMILES OCCNc1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C11H10N4OS2/c16-4-2-13-11-14-7-1-5-17-9(7)8(15-11)10-12-3-6-18-10/h1,3,5-6,16H,2,4H2,(H,13,14,15)
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57n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377507
PNG
(CHEMBL260667)
Show SMILES CCNc1nc(-c2ccco2)c2sccc2n1
Show InChI InChI=1S/C12H11N3OS/c1-2-13-12-14-8-5-7-17-11(8)10(15-12)9-4-3-6-16-9/h3-7H,2H2,1H3,(H,13,14,15)
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58n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377452
PNG
(CHEMBL264435)
Show SMILES NNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15)
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60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377506
PNG
(CHEMBL405567)
Show SMILES CN(C)c1nc(-c2ccco2)c2sccc2n1
Show InChI InChI=1S/C12H11N3OS/c1-15(2)12-13-8-5-7-17-11(8)10(14-12)9-4-3-6-16-9/h3-7H,1-2H3
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60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377446
PNG
((S,R)-MEFLOQUINE)
Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1
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61n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377499
PNG
(CHEMBL402817)
Show SMILES CCc1nc(-c2cccs2)c2sccc2n1
Show InChI InChI=1S/C12H10N2S2/c1-2-10-13-8-5-7-16-12(8)11(14-10)9-4-3-6-15-9/h3-7H,2H2,1H3
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69n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377464
PNG
(CHEMBL260547)
Show SMILES COc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3
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80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377478
PNG
(CHEMBL406483)
Show SMILES CN(C)c1nc(-c2cnccn2)c2sccc2n1
Show InChI InChI=1S/C12H11N5S/c1-17(2)12-15-8-3-6-18-11(8)10(16-12)9-7-13-4-5-14-9/h3-7H,1-2H3
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81n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377456
PNG
(CHEMBL405028)
Show SMILES FC(F)(F)c1nc(C(=O)c2ccccc2)c2sccc2n1
Show InChI InChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H
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92n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377451
PNG
(CHEMBL404985)
Show SMILES CCNc1nc(C(=O)c2cccs2)c2sccc2n1
Show InChI InChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16)
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107n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2916-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25
More data for this
Ligand-Target Pair
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