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Compile Data Set for Download or QSAR

Found 554 hits with Last Name = 'peng' 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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433602
PNG
(CHEMBL2381980)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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0.900n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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0.900n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433601
PNG
(CHEMBL2381983)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F |r|
Show InChI InChI=1S/C19H21F3N8O/c1-10-7-14(29-28-10)25-19-26-17(15(22)18(27-19)30-3-5-31-6-4-30)24-11(2)16-13(21)8-12(20)9-23-16/h7-9,11H,3-6H2,1-2H3,(H3,24,25,26,27,28,29)/t11-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163407
PNG
(2-Furan-2-yl-N*5*-[(R)-1-(2,4,6-trifluoro-benzyl)-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19F3N8O/c21-11-7-14(22)13(15(23)8-11)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151189
PNG
(5-[4-(3,5-Dichloro-pyridin-4-ylmethyl)-piperazin-1...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cncc2Cl)CC1
Show InChI InChI=1S/C18H17Cl2N9O/c19-12-8-22-9-13(20)11(12)10-27-3-5-28(6-4-27)17-24-16(21)29-18(25-17)23-15(26-29)14-2-1-7-30-14/h1-2,7-9H,3-6,10H2,(H2,21,23,24,25,26)
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2n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151182
PNG
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)
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3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163432
PNG
(CHEMBL179478 | N*5*-[(R)-1-(5-Chloro-furan-2-ylmet...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1
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3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151182
PNG
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)
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3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4835-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.048
BindingDB Entry DOI: 10.7270/Q27S7N8T
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151182
PNG
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)
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3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163423
PNG
(2-Furan-2-yl-N*5*-[(R)-1-(2,3,6-trifluoro-benzyl)-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19F3N8O/c21-13-5-6-14(22)16(23)12(13)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152215
PNG
(7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152215
PNG
(7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163402
PNG
(CHEMBL176071 | N*5*-[(R)-1-(2-Fluoro-5-trifluorome...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H20F4N8O/c22-15-6-5-13(21(23,24)25)9-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152240
PNG
(CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...)
Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C21H23F2N9O/c1-29(6-7-30-8-10-31(11-9-30)16-5-4-14(22)13-15(16)23)20-26-19(24)32-21(27-20)25-18(28-32)17-3-2-12-33-17/h2-5,12-13H,6-11H2,1H3,(H2,24,25,26,27,28)
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4835-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.048
BindingDB Entry DOI: 10.7270/Q27S7N8T
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163404
PNG
(CHEMBL177615 | N*5*-[(R)-1-(2-Chloro-3,6-difluoro-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19ClF2N8O/c21-16-12(13(22)5-6-14(16)23)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156604
PNG
(CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163422
PNG
(CHEMBL368201 | N*5*-[(R)-1-(2-Fluoro-4-trifluorome...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H20F4N8O/c22-15-9-13(21(23,24)25)6-5-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163420
PNG
(CHEMBL177532 | N*5*-[(R)-1-(2,3-Difluoro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20F2N8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/m1/s1
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5n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151186
PNG
(5-[4-(6-Chloro-2,3-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1
Show InChI InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)
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5n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152222
PNG
(CHEMBL360840 | N*5*-[(R)-1-(2-Fluoro-benzyl)-pyrro...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H21FN8O/c21-15-7-2-1-5-13(15)12-28-9-3-6-14(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-8-4-10-30-16/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,22,23,24,25,26,27)/t14-/m1/s1
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6n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151171
PNG
(5-[4-(2-Chloro-quinolin-3-ylmethyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1
Show InChI InChI=1S/C22H20ClN9O/c23-18-15(12-14-4-1-2-5-16(14)25-18)13-30-7-9-31(10-8-30)21-27-20(24)32-22(28-21)26-19(29-32)17-6-3-11-33-17/h1-6,11-12H,7-10,13H2,(H2,24,26,27,28,29)
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6n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152233
PNG
(CHEMBL363660 | N*7*-{2-[4-(2,4-Difluoro-phenyl)-pi...)
Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C22H24F2N8O/c1-29(6-7-30-8-10-31(11-9-30)17-5-4-15(23)13-16(17)24)19-14-20-26-21(18-3-2-12-33-18)28-32(20)22(25)27-19/h2-5,12-14H,6-11H2,1H3,(H2,25,27)
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6.5n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4835-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.048
BindingDB Entry DOI: 10.7270/Q27S7N8T
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163425
PNG
(2-Furan-2-yl-N*5*-((R)-1-pyridin-3-ylmethyl-pyrrol...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H21N9O/c20-17-24-18(25-19-23-16(26-28(17)19)15-6-3-9-29-15)22-11-14-5-2-8-27(14)12-13-4-1-7-21-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H3,20,22,23,24,25,26)/t14-/m1/s1
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7n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163401
PNG
(CHEMBL369373 | N*5*-[(R)-1-(3-Chloro-1-methyl-1H-p...)
Show SMILES Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
Show InChI InChI=1S/C18H21ClN10O/c1-27-9-11(14(19)25-27)10-28-6-2-4-12(28)8-21-17-23-16(20)29-18(24-17)22-15(26-29)13-5-3-7-30-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H3,20,21,22,23,24,26)/t12-/m1/s1
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7n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163410
PNG
(CHEMBL173993 | N*5*-[(R)-1-(3-Chloro-2-fluoro-benz...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20ClFN8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/m1/s1
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7n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152234
PNG
(CHEMBL184061 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...)
Show SMILES Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28)
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7.10n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4835-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.048
BindingDB Entry DOI: 10.7270/Q27S7N8T
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163412
PNG
(2-Furan-2-yl-N*5*-[(R)-1-(2,4,5-trifluoro-benzyl)-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19F3N8O/c21-13-8-15(23)14(22)7-11(13)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1
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8n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163396
PNG
(CHEMBL367593 | N*5*-[(R)-1-(3-Chloro-2-fluoro-6-tr...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H19ClF4N8O/c22-14-6-5-13(21(24,25)26)12(16(14)23)10-33-7-1-3-11(33)9-28-19-30-18(27)34-20(31-19)29-17(32-34)15-4-2-8-35-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,27,28,29,30,31,32)/t11-/m1/s1
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8n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152220
PNG
(CHEMBL183531 | N*7*-[(R)-1-(2-Chloro-pyridin-4-ylm...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H21ClN8O/c21-16-9-13(5-6-23-16)12-28-7-1-3-14(28)11-24-17-10-18-26-19(15-4-2-8-30-15)27-29(18)20(22)25-17/h2,4-6,8-10,14,24H,1,3,7,11-12H2,(H2,22,25)/t14-/m1/s1
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10n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151181
PNG
(2-Furan-2-yl-5-[4-(2,3,6-trifluoro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1
Show InChI InChI=1S/C19H17F3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)
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10n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152214
PNG
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)
Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H24N8O2/c1-13-9-14(25-30-13)11-27-7-3-5-15(27)12-26(2)18-10-17(21)28-20(22-18)23-19(24-28)16-6-4-8-29-16/h4,6,8-10,15H,3,5,7,11-12,21H2,1-2H3/t15-/m1/s1
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11n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152243
PNG
(2-Furan-2-yl-N*5*-methyl-N*5*-[2-(4-phenyl-piperaz...)
Show SMILES CN(CCN1CCN(CC1)c1ccccc1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C21H25N9O/c1-27(9-10-28-11-13-29(14-12-28)16-6-3-2-4-7-16)20-24-19(22)30-21(25-20)23-18(26-30)17-8-5-15-31-17/h2-8,15H,9-14H2,1H3,(H2,22,23,24,25,26)
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11n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4835-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.048
BindingDB Entry DOI: 10.7270/Q27S7N8T
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163403
PNG
(CHEMBL368070 | N*5*-[(R)-1-(2,4-Dichloro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20Cl2N8O/c21-13-6-5-12(15(22)9-13)11-29-7-1-3-14(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-4-2-8-31-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,23,24,25,26,27,28)/t14-/m1/s1
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11n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151205
PNG
(5-[4-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-piper...)
Show SMILES Cc1ccc2nc(Cl)c(CN3CCN(CC3)c3nc(N)n4nc(nc4n3)-c3ccco3)cc2c1
Show InChI InChI=1S/C23H22ClN9O/c1-14-4-5-17-15(11-14)12-16(19(24)26-17)13-31-6-8-32(9-7-31)22-28-21(25)33-23(29-22)27-20(30-33)18-3-2-10-34-18/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28,29,30)
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12n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163426
PNG
(CHEMBL177539 | N*5*-((R)-1-Benzofuran-2-ylmethyl-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22N8O2/c23-20-26-21(27-22-25-19(28-30(20)22)18-8-4-10-31-18)24-12-15-6-3-9-29(15)13-16-11-14-5-1-2-7-17(14)32-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H3,23,24,25,26,27,28)/t15-/m1/s1
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12n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152213
PNG
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)
Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1
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12n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152213
PNG
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)
Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1
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12n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163399
PNG
(CHEMBL177943 | N*5*-[(R)-1-(2,4-Difluoro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20F2N8O/c21-13-6-5-12(15(22)9-13)11-29-7-1-3-14(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-4-2-8-31-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,23,24,25,26,27,28)/t14-/m1/s1
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14n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163398
PNG
(CHEMBL175645 | N*5*-[(R)-1-(3-Chloro-benzyl)-pyrro...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H21ClN8O/c21-14-5-1-4-13(10-14)12-28-8-2-6-15(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-7-3-9-30-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H3,22,23,24,25,26,27)/t15-/m1/s1
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14n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151188
PNG
(5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...)
Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)
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14n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163415
PNG
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)
Show SMILES CN(C[C@H]1CCCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H25N9O2/c1-13-10-14(26-31-13)11-28-8-4-3-6-15(28)12-27(2)19-23-18(21)29-20(24-19)22-17(25-29)16-7-5-9-30-16/h5,7,9-10,15H,3-4,6,8,11-12H2,1-2H3,(H2,21,22,23,24,25)/t15-/m1/s1
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14n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163416
PNG
(2-Furan-2-yl-N*5*-((R)-1-pyridin-2-ylmethyl-pyrrol...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H21N9O/c20-17-24-18(25-19-23-16(26-28(17)19)15-7-4-10-29-15)22-11-14-6-3-9-27(14)12-13-5-1-2-8-21-13/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,20,22,23,24,25,26)/t14-/m1/s1
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15n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151198
PNG
(5-[4-(2,6-Difluoro-benzyl)-piperazin-1-yl]-2-furan...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cccc2F)CC1
Show InChI InChI=1S/C19H18F2N8O/c20-13-3-1-4-14(21)12(13)11-27-6-8-28(9-7-27)18-24-17(22)29-19(25-18)23-16(26-29)15-5-2-10-30-15/h1-5,10H,6-9,11H2,(H2,22,23,24,25,26)
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16n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163406
PNG
(2-Furan-2-yl-N*5*-((R)-1-quinolin-2-ylmethyl-pyrro...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H23N9O/c24-21-28-22(29-23-27-20(30-32(21)23)19-8-4-12-33-19)25-13-17-6-3-11-31(17)14-16-10-9-15-5-1-2-7-18(15)26-16/h1-2,4-5,7-10,12,17H,3,6,11,13-14H2,(H3,24,25,27,28,29,30)/t17-/m1/s1
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17n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50152207
PNG
(CHEMBL435099 | N*5*-[(R)-1-(2,6-Dichloro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20Cl2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1
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18n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand


Bioorg Med Chem Lett 14: 4831-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.047
BindingDB Entry DOI: 10.7270/Q2CJ8CZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151208
PNG
(2-Furan-2-yl-5-[4-(2,3,6-trichloro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C19H17Cl3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)
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18n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151195
PNG
(5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...)
Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)
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18n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151195
PNG
(5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...)
Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)
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18n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50163417
PNG
(2-Furan-2-yl-N*5*-((R)-1-furan-2-ylmethyl-pyrrolid...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H20N8O2/c19-16-22-17(23-18-21-15(24-26(16)18)14-6-3-9-28-14)20-10-12-4-1-7-25(12)11-13-5-2-8-27-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H3,19,20,21,22,23,24)/t12-/m1/s1
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18n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
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