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PubMed code 15294001

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor 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		3D
3D Structure (crystal)
Adenosine receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151190
PNG
(5-[4-(3-Chloro-2,6-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(Cl)c2F)CC1
Show InChI InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)11(15(12)22)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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 30n/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 receptor A2b


(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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 30n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Selectivity for recombinant human adenosine A2b 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151202
PNG
(2-Furan-2-yl-5-[4-(2-methylsulfanyl-thiophen-3-ylm...)
Show SMILES CSc1sccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H20N8OS2/c1-28-15-12(4-10-29-15)11-24-5-7-25(8-6-24)17-21-16(19)26-18(22-17)20-14(23-26)13-3-2-9-27-13/h2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21,22,23)
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 35n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151191
PNG
(5-[4-(2,4-Dimethyl-pyridin-3-ylmethyl)-piperazin-1...)
Show SMILES Cc1ccnc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H23N9O/c1-13-5-6-22-14(2)15(13)12-27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,23,24,25,26)
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 36n/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 receptor A2a


(Rattus norvegicus (rat))		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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 37n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 42n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151204
PNG
(2-Furan-2-yl-5-(4-furan-2-ylmethyl-piperazin-1-yl)...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccco2)CC1
Show InChI InChI=1S/C17H18N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-4-2-10-27-13)24-7-5-23(6-8-24)11-12-3-1-9-26-12/h1-4,9-10H,5-8,11H2,(H2,18,19,20,21,22)
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 47n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151187
PNG
(2-Furan-2-yl-5-[4-(2-methyl-pyridin-3-ylmethyl)-pi...)
Show SMILES Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25)
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 48n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151194
PNG
(2-Furan-2-yl-5-(4-thiazol-4-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cscn2)CC1
Show InChI InChI=1S/C16H17N9OS/c17-14-20-15(21-16-19-13(22-25(14)16)12-2-1-7-26-12)24-5-3-23(4-6-24)8-11-9-27-10-18-11/h1-2,7,9-10H,3-6,8H2,(H2,17,19,20,21,22)
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 54n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151174
PNG
(2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-11-32-18)30-9-7-29(8-10-30)14-15-12-16-4-1-2-5-17(16)24-13-15/h1-6,11-13H,7-10,14H2,(H2,23,25,26,27,28)
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 57n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151184
PNG
(5-[4-(3-Chloro-1-methyl-1H-pyrazol-4-ylmethyl)-pip...)
Show SMILES Cn1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
Show InChI InChI=1S/C17H19ClN10O/c1-25-9-11(13(18)23-25)10-26-4-6-27(7-5-26)16-21-15(19)28-17(22-16)20-14(24-28)12-3-2-8-29-12/h2-3,8-9H,4-7,10H2,1H3,(H2,19,20,21,22,24)
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 58n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151207
PNG
(2-Furan-2-yl-5-(4-quinolin-2-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-13-32-18)30-11-9-29(10-12-30)14-16-8-7-15-4-1-2-5-17(15)24-16/h1-8,13H,9-12,14H2,(H2,23,25,26,27,28)
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 73n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151192
PNG
(5-(4-Benzofuran-2-ylmethyl-piperazin-1-yl)-2-furan...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H20N8O2/c22-19-24-20(25-21-23-18(26-29(19)21)17-6-3-11-30-17)28-9-7-27(8-10-28)13-15-12-14-4-1-2-5-16(14)31-15/h1-6,11-12H,7-10,13H2,(H2,22,23,24,25,26)
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 74n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151210
PNG
(2-Furan-2-yl-5-(4-thiophen-3-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C17H18N8OS/c18-15-20-16(21-17-19-14(22-25(15)17)13-2-1-8-26-13)24-6-4-23(5-7-24)10-12-3-9-27-11-12/h1-3,8-9,11H,4-7,10H2,(H2,18,19,20,21,22)
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 75n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151180
PNG
(2-Furan-2-yl-5-(4-quinolin-4-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccnc3ccccc23)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-13-32-18)30-11-9-29(10-12-30)14-15-7-8-24-17-5-2-1-4-16(15)17/h1-8,13H,9-12,14H2,(H2,23,25,26,27,28)
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 85n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151173
PNG
(2-Furan-2-yl-5-(4-[1,2,3]thiadiazol-4-ylmethyl-pip...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2csnn2)CC1
Show InChI InChI=1S/C15H16N10OS/c16-13-18-14(19-15-17-12(21-25(13)15)11-2-1-7-26-11)24-5-3-23(4-6-24)8-10-9-27-22-20-10/h1-2,7,9H,3-6,8H2,(H2,16,17,18,19,21)
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 96n/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 receptor A2a


(Homo sapiens (Human))		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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 100n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Selectivity for recombinant human 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151199
PNG
(2-Furan-2-yl-5-(4-pyridin-2-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-5-3-11-28-14)26-9-7-25(8-10-26)12-13-4-1-2-6-20-13/h1-6,11H,7-10,12H2,(H2,19,21,22,23,24)
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 110n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151193
PNG
(5-[4-(2,6-Dichloro-benzyl)-piperazin-1-yl]-2-furan...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
Show InChI InChI=1S/C19H18Cl2N8O/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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 114n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151200
PNG
(2-Furan-2-yl-5-[4-(5-methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cc1nc[nH]c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H20N10O/c1-11-12(20-10-19-11)9-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)(H2,18,21,22,23,24)
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 130n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151178
PNG
(2-Furan-2-yl-5-(4-pyridin-4-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-2-1-11-28-14)26-9-7-25(8-10-26)12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H2,19,21,22,23,24)
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 140n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151183
PNG
(5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
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 140n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151175
PNG
(2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-p...)
Show SMILES Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Show InChI InChI=1S/C17H19N9O2/c1-11-9-12(23-28-11)10-24-4-6-25(7-5-24)16-20-15(18)26-17(21-16)19-14(22-26)13-3-2-8-27-13/h2-3,8-9H,4-7,10H2,1H3,(H2,18,19,20,21,22)
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 180n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151196
PNG
(5-[4-(2-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-2-1-4-13(14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-6-3-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 180n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151197
PNG
(2-Furan-2-yl-5-(4-phenyl-piperazin-1-yl)-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H18N8O/c19-16-21-17(22-18-20-15(23-26(16)18)14-7-4-12-27-14)25-10-8-24(9-11-25)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,19,20,21,22,23)
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 190n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151172
PNG
(2-Furan-2-yl-5-[4-(2-methyl-1H-imidazol-4-ylmethyl...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)[nH]1
Show InChI InChI=1S/C17H20N10O/c1-11-19-9-12(20-11)10-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8-9H,4-7,10H2,1H3,(H,19,20)(H2,18,21,22,23,24)
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 220n/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 receptor A1


(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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 250n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151177
PNG
(2-Furan-2-yl-5-(4-pyridin-3-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-4-2-10-28-14)26-8-6-25(7-9-26)12-13-3-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H2,19,21,22,23,24)
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 280n/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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151209
PNG
(2-Furan-2-yl-5-[4-(1H-imidazol-4-ylmethyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H18N10O/c17-14-21-15(22-16-20-13(23-26(14)16)12-2-1-7-27-12)25-5-3-24(4-6-25)9-11-8-18-10-19-11/h1-2,7-8,10H,3-6,9H2,(H,18,19)(H2,17,20,21,22,23)
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 320n/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 receptor A1


(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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 360n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151185
PNG
(2-Furan-2-yl-5-[4-(2-methoxy-benzyl)-piperazin-1-y...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H22N8O2/c1-29-15-6-3-2-5-14(15)13-26-8-10-27(11-9-26)19-23-18(21)28-20(24-19)22-17(25-28)16-7-4-12-30-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23,24,25)
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 380n/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 receptor A1


(Rattus norvegicus (rat))		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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 390n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151184
PNG
(5-[4-(3-Chloro-1-methyl-1H-pyrazol-4-ylmethyl)-pip...)
Show SMILES Cn1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
Show InChI InChI=1S/C17H19ClN10O/c1-25-9-11(13(18)23-25)10-26-4-6-27(7-5-26)16-21-15(19)28-17(22-16)20-14(24-28)12-3-2-8-29-12/h2-3,8-9H,4-7,10H2,1H3,(H2,19,20,21,22,24)
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 420n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151176
PNG
(2-Furan-2-yl-5-[4-(3-phenyl-propyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C21H24N8O/c22-19-24-20(25-21-23-18(26-29(19)21)17-9-5-15-30-17)28-13-11-27(12-14-28)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H2,22,23,24,25,26)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151209
PNG
(2-Furan-2-yl-5-[4-(1H-imidazol-4-ylmethyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H18N10O/c17-14-21-15(22-16-20-13(23-26(14)16)12-2-1-7-27-12)25-5-3-24(4-6-25)9-11-8-18-10-19-11/h1-2,7-8,10H,3-6,9H2,(H,18,19)(H2,17,20,21,22,23)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151178
PNG
(2-Furan-2-yl-5-(4-pyridin-4-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-2-1-11-28-14)26-9-7-25(8-10-26)12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H2,19,21,22,23,24)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151204
PNG
(2-Furan-2-yl-5-(4-furan-2-ylmethyl-piperazin-1-yl)...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccco2)CC1
Show InChI InChI=1S/C17H18N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-4-2-10-27-13)24-7-5-23(6-8-24)11-12-3-1-9-26-12/h1-4,9-10H,5-8,11H2,(H2,18,19,20,21,22)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151185
PNG
(2-Furan-2-yl-5-[4-(2-methoxy-benzyl)-piperazin-1-y...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H22N8O2/c1-29-15-6-3-2-5-14(15)13-26-8-10-27(11-9-26)19-23-18(21)28-20(24-19)22-17(25-28)16-7-4-12-30-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151197
PNG
(2-Furan-2-yl-5-(4-phenyl-piperazin-1-yl)-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H18N8O/c19-16-21-17(22-18-20-15(23-26(16)18)14-7-4-12-27-14)25-10-8-24(9-11-25)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,19,20,21,22,23)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151196
PNG
(5-[4-(2-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-2-1-4-13(14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-6-3-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151177
PNG
(2-Furan-2-yl-5-(4-pyridin-3-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-4-2-10-28-14)26-8-6-25(7-9-26)12-13-3-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H2,19,21,22,23,24)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151203
PNG
(2-Furan-2-yl-5-(4-phenethyl-piperazin-1-yl)-[1,2,4...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H22N8O/c21-18-23-19(24-20-22-17(25-28(18)20)16-7-4-14-29-16)27-12-10-26(11-13-27)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H2,21,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151201
PNG
(5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151200
PNG
(2-Furan-2-yl-5-[4-(5-methyl-3H-imidazol-4-ylmethyl...)
Show SMILES Cc1nc[nH]c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H20N10O/c1-11-12(20-10-19-11)9-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)(H2,18,21,22,23,24)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151175
PNG
(2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-p...)
Show SMILES Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Show InChI InChI=1S/C17H19N9O2/c1-11-9-12(23-28-11)10-24-4-6-25(7-5-24)16-20-15(18)26-17(21-16)19-14(22-26)13-3-2-8-27-13/h2-3,8-9H,4-7,10H2,1H3,(H2,18,19,20,21,22)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151187
PNG
(2-Furan-2-yl-5-[4-(2-methyl-pyridin-3-ylmethyl)-pi...)
Show SMILES Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151172
PNG
(2-Furan-2-yl-5-[4-(2-methyl-1H-imidazol-4-ylmethyl...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)[nH]1
Show InChI InChI=1S/C17H20N10O/c1-11-19-9-12(20-11)10-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8-9H,4-7,10H2,1H3,(H,19,20)(H2,18,21,22,23,24)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151179
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151207
PNG
(2-Furan-2-yl-5-(4-quinolin-2-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-13-32-18)30-11-9-29(10-12-30)14-16-8-7-15-4-1-2-5-17(15)24-16/h1-8,13H,9-12,14H2,(H2,23,25,26,27,28)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151183
PNG
(5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151173
PNG
(2-Furan-2-yl-5-(4-[1,2,3]thiadiazol-4-ylmethyl-pip...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2csnn2)CC1
Show InChI InChI=1S/C15H16N10OS/c16-13-18-14(19-15-17-12(21-25(13)15)11-2-1-7-26-11)24-5-3-23(4-6-24)8-10-9-27-22-20-10/h1-2,7,9H,3-6,8H2,(H2,16,17,18,19,21)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151191
PNG
(5-[4-(2,4-Dimethyl-pyridin-3-ylmethyl)-piperazin-1...)
Show SMILES Cc1ccnc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C20H23N9O/c1-13-5-6-22-14(2)15(13)12-27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,23,24,25,26)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151192
PNG
(5-(4-Benzofuran-2-ylmethyl-piperazin-1-yl)-2-furan...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H20N8O2/c22-19-24-20(25-21-23-18(26-29(19)21)17-6-3-11-30-17)28-9-7-27(8-10-28)13-15-12-14-4-1-2-5-16(14)31-15/h1-6,11-12H,7-10,13H2,(H2,22,23,24,25,26)
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 650n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151174
PNG
(2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-11-32-18)30-9-7-29(8-10-30)14-15-12-16-4-1-2-5-17(16)24-13-15/h1-6,11-13H,7-10,14H2,(H2,23,25,26,27,28)
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 670n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 670n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 680n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151194
PNG
(2-Furan-2-yl-5-(4-thiazol-4-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cscn2)CC1
Show InChI InChI=1S/C16H17N9OS/c17-14-20-15(21-16-19-13(22-25(14)16)12-2-1-7-26-12)24-5-3-23(4-6-24)8-11-9-27-10-18-11/h1-2,7,9-10H,3-6,8H2,(H2,17,19,20,21,22)
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 720n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 840n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 930n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 1.10E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151179
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 1.10E+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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151201
PNG
(5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25)
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 1.20E+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 receptor A1


(Rattus norvegicus (rat))		BDBM50151190
PNG
(5-[4-(3-Chloro-2,6-difluoro-benzyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(Cl)c2F)CC1
Show InChI InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)11(15(12)22)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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 1.30E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151176
PNG
(2-Furan-2-yl-5-[4-(3-phenyl-propyl)-piperazin-1-yl...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C21H24N8O/c22-19-24-20(25-21-23-18(26-29(19)21)17-9-5-15-30-17)28-13-11-27(12-14-28)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H2,22,23,24,25,26)
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 1.30E+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 receptor A1


(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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 1.30E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151203
PNG
(2-Furan-2-yl-5-(4-phenethyl-piperazin-1-yl)-[1,2,4...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H22N8O/c21-18-23-19(24-20-22-17(25-28(18)20)16-7-4-14-29-16)27-12-10-26(11-13-27)9-8-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H2,21,22,23,24,25)
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 1.50E+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 receptor A1


(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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 1.50E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151199
PNG
(2-Furan-2-yl-5-(4-pyridin-2-ylmethyl-piperazin-1-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-5-3-11-28-14)26-9-7-25(8-10-26)12-13-4-1-2-6-20-13/h1-6,11H,7-10,12H2,(H2,19,21,22,23,24)
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 2.70E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(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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 2.90E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A1


(Rattus norvegicus (rat))		BDBM50151193
PNG
(5-[4-(2,6-Dichloro-benzyl)-piperazin-1-yl]-2-furan...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
Show InChI InChI=1S/C19H18Cl2N8O/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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 4.50E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A2a


(Rattus norvegicus (rat))		BDBM50151206
PNG
(2-(furan-2-yl)-5-(piperazin-1-yl)-[1,2,4]triazolo[...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCNCC1
Show InChI InChI=1S/C12H14N8O/c13-10-16-11(19-5-3-14-4-6-19)17-12-15-9(18-20(10)12)8-2-1-7-21-8/h1-2,7,14H,3-6H2,(H2,13,15,16,17,18)
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>5.00E+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 receptor A1


(Rattus norvegicus (rat))		BDBM50151180
PNG
(2-Furan-2-yl-5-(4-quinolin-4-ylmethyl-piperazin-1-...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccnc3ccccc23)CC1
Show InChI InChI=1S/C22H21N9O/c23-20-26-21(27-22-25-19(28-31(20)22)18-6-3-13-32-18)30-11-9-29(10-12-30)14-15-7-8-24-17-5-2-1-4-16(15)17/h1-8,13H,9-12,14H2,(H2,23,25,26,27,28)
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 7.40E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 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 receptor A3


(Homo sapiens (Human))		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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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Selectivity for recombinant human adenosine A3 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 receptor A1


(Homo sapiens (Human))		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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 1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Selectivity for recombinant human adenosine A1 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 receptor A2b


(Homo sapiens (Human))		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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 2.80E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Selectivity for recombinant human adenosine A2b 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
* indicates data uncertainty>20%