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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'püllmann' and Initial = 'b'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429823
PNG
(CHEMBL2338173)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29)
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0.150n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147665
PNG
(CHEMBL112773 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES COC[C@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m1/s1
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147656
PNG
(CHEMBL113967 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-5-6-13(18)25-12/h5-6,8-10H,2-4,7,19H2,1H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147647
PNG
(5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCN(CC)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C15H16BrN5O2/c1-3-20(4-2)15(22)9-7-12(17)21-13(8-9)18-14(19-21)10-5-6-11(16)23-10/h5-8H,3-4,17H2,1-2H3
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147655
PNG
(CHEMBL323945 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O2/c1-10-3-2-6-22(9-10)17(24)11-7-14(19)23-15(8-11)20-16(21-23)12-4-5-13(18)25-12/h4-5,7-8,10H,2-3,6,9,19H2,1H3
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147651
PNG
(5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C16H17BrN6O3/c1-21(2)14(24)8-22(3)16(25)9-6-12(18)23-13(7-9)19-15(20-23)10-4-5-11(17)26-10/h4-7H,8,18H2,1-3H3
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147669
PNG
(CHEMBL110074 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-13(18)22-14(8-10)19-15(20-22)11-4-5-12(17)24-11/h4-5,7-9H,2-3,6,18H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147672
PNG
(5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-17(22)27-18(12-13)24-19(25-27)15-6-7-16(21)29-15/h3-7,9,11-12H,2,8,10,22H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147644
PNG
(5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-17(22)26-18(12-14)23-19(24-26)15-7-8-16(21)28-15/h2-8,11-12H,9-10,22H2,1H3
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5n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147638
PNG
(CHEMBL324077 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2
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6n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147670
PNG
(5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCCN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-12(17)21-13(8-9)18-14(19-21)10-4-5-11(16)23-10/h4-5,7-8H,3,6,17H2,1-2H3
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6n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50429823
PNG
(CHEMBL2338173)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29)
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6.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147648
PNG
(1-[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(12-13)21(30)14-10-17(23)28-18(11-14)24-19(25-28)15-7-8-16(22)31-15/h7-8,10-11,13H,3-6,9,12,23H2,1-2H3
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8n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147661
PNG
(CHEMBL325350 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H14BrN5O2/c16-11-4-3-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2
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9n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147646
PNG
(CHEMBL325237 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCSCC1
Show InChI InChI=1S/C15H14BrN5O2S/c16-11-2-1-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-3-5-24-6-4-20/h1-2,7-8H,3-6,17H2
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9n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147658
PNG
((5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H15N5O2/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2
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11n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147663
PNG
(CHEMBL320349 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1
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12n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147660
PNG
(CHEMBL113228 | [5-Amino-2-(5-methyl-furan-2-yl)-[1...)
Show SMILES Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H19N5O2/c1-11-5-6-13(24-11)16-19-15-10-12(9-14(18)22(15)20-16)17(23)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,18H2,1H3
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14n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147643
PNG
(CHEMBL113542 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O2/c1-10-3-2-6-22(8-10)17(24)11-7-12(19)16-20-15(21-23(16)9-11)13-4-5-14(18)25-13/h4-5,7,9-10H,2-3,6,8,19H2,1H3
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147639
PNG
(CHEMBL110047 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-12(19)16-20-15(21-23(16)8-10)13-4-5-14(18)26-13/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1
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16n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147659
PNG
(CHEMBL324591 | [5-Amino-2-(5-methyl-furan-2-yl)-[1...)
Show SMILES Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H17N5O2/c1-10-4-5-12(23-10)15-18-14-9-11(8-13(17)21(14)19-15)16(22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,17H2,1H3
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147664
PNG
(8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C16H17BrN6O3/c1-21(2)13(24)8-22(3)16(25)9-6-10(18)15-19-14(20-23(15)7-9)11-4-5-12(17)26-11/h4-7H,8,18H2,1-3H3
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147654
PNG
(CHEMBL114185 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-11(18)15-19-14(20-22(15)8-10)12-4-5-13(17)24-12/h4-5,7-9H,2-3,6,18H2,1H3
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27n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147649
PNG
(CHEMBL113376 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H16BrN5O2/c17-13-5-4-12(24-13)14-19-15-11(18)8-10(9-22(15)20-14)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2
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27n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147637
PNG
((5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H17N5O2/c17-13-9-11(16(22)20-6-2-1-3-7-20)10-14-18-15(19-21(13)14)12-5-4-8-23-12/h4-5,8-10H,1-3,6-7,17H2
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27n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147662
PNG
(CHEMBL112195 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H14BrN5O2/c16-12-4-3-11(23-12)13-18-14-10(17)7-9(8-21(14)19-13)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2
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35n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147667
PNG
(1-[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[...)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(11-13)21(30)14-10-15(23)19-24-18(25-28(19)12-14)16-7-8-17(22)31-16/h7-8,10,12-13H,3-6,9,11,23H2,1-2H3
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40n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147645
PNG
(8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCCN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-4-5-12(16)23-11/h4-5,7-8H,3,6,17H2,1-2H3
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44n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147671
PNG
(8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-15(22)19-23-18(24-26(19)12-14)16-7-8-17(21)28-16/h2-8,11-12H,9-10,22H2,1H3
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50n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147634
PNG
(CHEMBL419191 | [8-Amino-2-(5-methyl-furan-2-yl)-[1...)
Show SMILES Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H19N5O2/c1-11-5-6-14(24-11)15-19-16-13(18)9-12(10-22(16)20-15)17(23)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,18H2,1H3
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57n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147666
PNG
((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H15N5O2/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2
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57n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147657
PNG
((5-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyri...)
Show SMILES Nc1cc(cc2nc(nn12)-c1ccccn1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H16N6O/c17-13-9-11(16(23)21-7-3-4-8-21)10-14-19-15(20-22(13)14)12-5-1-2-6-18-12/h1-2,5-6,9-10H,3-4,7-8,17H2
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57n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147636
PNG
(CHEMBL110646 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-12(19)16-20-15(21-23(16)8-10)13-4-5-14(18)26-13/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m1/s1
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61n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147641
PNG
(CHEMBL325993 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES CC1CCCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-12(19)16-20-15(21-23(16)9-11)13-5-6-14(18)25-13/h5-6,8-10H,2-4,7,19H2,1H3
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62n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147653
PNG
(CHEMBL323754 | [8-Amino-2-(5-bromo-furan-2-yl)-[1,...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCSCC1
Show InChI InChI=1S/C15H14BrN5O2S/c16-12-2-1-11(23-12)13-18-14-10(17)7-9(8-21(14)19-13)15(22)20-3-5-24-6-4-20/h1-2,7-8H,3-6,17H2
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73n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147652
PNG
(8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-15(22)19-24-18(25-27(19)12-13)16-6-7-17(21)29-16/h3-7,9,11-12H,2,8,10,22H2,1H3
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76n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147633
PNG
(CHEMBL432624 | [8-Amino-2-(5-methyl-furan-2-yl)-[1...)
Show SMILES Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H17N5O2/c1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,17H2,1H3
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76n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147668
PNG
((5-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyr...)
Show SMILES Nc1cc(cc2nc(nn12)-c1cccs1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H15N5OS/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2
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104n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429830
PNG
(CHEMBL2338182)
Show SMILES Cc1cccc2N(CCc12)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-18-17(13)5-6-21(18)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
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170n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147635
PNG
((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H17N5O2/c17-12-9-11(16(22)20-6-2-1-3-7-20)10-21-15(12)18-14(19-21)13-5-4-8-23-13/h4-5,8-10H,1-3,6-7,17H2
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190n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147640
PNG
((8-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyri...)
Show SMILES Nc1cc(cn2nc(nc12)-c1ccccn1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H16N6O/c17-12-9-11(16(23)21-7-3-4-8-21)10-22-15(12)19-14(20-22)13-5-1-2-6-18-13/h1-2,5-6,9-10H,3-4,7-8,17H2
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192n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147642
PNG
((8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyr...)
Show SMILES Nc1cc(cn2nc(nc12)-c1cccs1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H15N5OS/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2
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197n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429829
PNG
(CHEMBL2338183)
Show SMILES Fc1ccc2N(CCc2c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
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200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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255n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A1 receptor


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429826
PNG
(CHEMBL2338186)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
Show InChI InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
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270n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50147650
PNG
(8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5...)
Show SMILES CCN(CC)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C15H16BrN5O2/c1-3-20(4-2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-5-6-12(16)23-11/h5-8H,3-4,17H2,1-2H3
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277n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A2a receptor (hA2a)


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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287n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A1 receptor


Bioorg Med Chem Lett 14: 3307-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.104
BindingDB Entry DOI: 10.7270/Q2VD6XWM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429824
PNG
(CHEMBL2338188)
Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc12 |TLB:8:7:11:4.3.2,8:3:6.7.9:11,THB:2:3:6:9.10.11,2:10:6:4.8.3,1:2:6.7.9:11,(54.97,-16.45,;54.99,-18,;53.66,-18.79,;53.65,-20.32,;52.25,-20.67,;50.91,-20.18,;49.71,-21.46,;51.22,-21.04,;52.63,-21.61,;51.22,-19.45,;52.26,-18.21,;50.91,-18.69,;56.34,-18.76,;56.52,-20.29,;58.04,-20.59,;58.79,-19.24,;60.29,-18.91,;60.75,-17.44,;59.69,-16.3,;58.2,-16.64,;57.75,-18.11,)|
Show InChI InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2
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320n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
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