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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'bernardini' and Initial = 'c'   
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 A3


(Homo sapiens (Human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190441
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(C)cc3)=Nc2n1)c1ccco1
Show InChI InChI=1S/C20H20N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11,18H,3H2,1-2H3,(H,22,26)(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109481
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.150n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)
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0.160n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094691
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
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0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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0.290n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109480
PNG
(1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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0.300n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190454
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccccc3OC)=Nc2n1)c1ccco1
Show InChI InChI=1S/C20H20N8O3/c1-3-27-11-12-16(25-27)23-19(24-20(29)21-13-7-4-5-8-14(13)30-2)28-18(12)22-17(26-28)15-9-6-10-31-15/h4-11,18H,3H2,1-2H3,(H,22,26)(H2,21,23,24,25,29)
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0.560n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109471
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N9O4/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(29)20-11-5-7-12(8-6-11)28(30)31/h3-10H,2H2,1H3,(H2,20,22,23,24,29)
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0.650n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170132
PNG
(1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)
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0.800n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190446
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(F)cc3)=Nc2n1)c1ccco1
Show InChI InChI=1S/C19H17FN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10,17H,2H2,1H3,(H,22,26)(H2,21,23,24,25,29)
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0.860n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190451
PNG
(1-[2-furan-2-yl-8-(3-hydroxy-propyl)-8H-pyrazolo[4...)
Show SMILES OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H17N9O3/c29-9-2-8-27-11-13-15(25-27)23-18(24-19(30)21-12-4-6-20-7-5-12)28-17(13)22-16(26-28)14-3-1-10-31-14/h1,3-7,10-11,29H,2,8-9H2,(H2,20,21,23,24,25,30)
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2n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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2.10n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170136
PNG
(1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O
Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3
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3.45n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190437
PNG
(1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,...)
Show SMILES OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H15N9O3/c28-8-7-26-10-12-14(24-26)22-17(23-18(29)20-11-3-5-19-6-4-11)27-16(12)21-15(25-27)13-2-1-9-30-13/h1-6,9-10,28H,7-8H2,(H2,19,20,22,23,24,29)
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5.10n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254898
PNG
(1-Benzyl-7-methyl-3-allyl-1H,8H-imidazo[2,1-f]puri...)
Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1
Show InChI InChI=1S/C18H17N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h3-8,10H,1,9,11H2,2H3,(H,19,20)
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5.13n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053922
PNG
(CHEMBL329722 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)
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7.70n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190438
PNG
(CHEMBL437685 | dipropyl 2-(3-chlorophenyl)-4,6-die...)
Show SMILES CCCOC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
Show InChI InChI=1S/C23H28ClNO4/c1-5-12-28-22(26)19-17(7-3)20(23(27)29-13-6-2)21(25-18(19)8-4)15-10-9-11-16(24)14-15/h9-11,14H,5-8,12-13H2,1-4H3
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7.90n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170137
PNG
(1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O
Show InChI InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190445
PNG
(3-ethyl 5-propyl 2,4-diethyl-6-phenylpyridine-3,5-...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4/c1-5-14-27-22(25)19-16(6-2)18(21(24)26-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
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8.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190434
PNG
(1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...)
Show SMILES O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-4-10-26-14-18)30-24-29-21-19(23-28-22(32-34(23)24)20-9-5-12-37-20)15-33(31-21)11-13-36-16-17-6-2-1-3-7-17/h1-10,12,14-15H,11,13,16H2,(H2,27,29,30,31,35)
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9n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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13.4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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13.9n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190433
PNG
(5-[[(4-pyridyl)amino]carbonyl]amino-[8-(3-benzylox...)
Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C26H23N9O3/c36-26(28-19-9-11-27-12-10-19)31-25-30-22-20(24-29-23(33-35(24)25)21-8-4-15-38-21)16-34(32-22)13-5-14-37-17-18-6-2-1-3-7-18/h1-4,6-12,15-16H,5,13-14,17H2,(H2,27,28,30,31,32,36)
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14n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170141
PNG
(1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]puri...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O
Show InChI InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)
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15n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254932
PNG
(1-Benzyl-7-methyl-3-prop-2-ynyl-1H,8H-imidazo[2,1-...)
Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1
Show InChI InChI=1S/C18H15N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h1,4-8,10H,9,11H2,2H3,(H,19,20)
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15n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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17n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190435
PNG
(3-ethyl 5-propyl 2-ethyl-6-phenyl-4-propylpyridine...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4/c1-5-12-17-19(22(25)27-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)23(26)28-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190453
PNG
(CHEMBL377271 | ethyl 5-(ethylthiocarbonyl)-4,6-dim...)
Show SMILES CCOC(=O)c1c(C)c(C(=O)SCC)c(C)nc1-c1ccccc1
Show InChI InChI=1S/C19H21NO3S/c1-5-23-18(21)16-12(3)15(19(22)24-6-2)13(4)20-17(16)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254933
PNG
((1-Benzyl-7-methyl-2,4-dioxo-1,2,4,8-tetrahydro-im...)
Show SMILES CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C19H19N5O4/c1-3-28-14(25)11-24-17(26)15-16(21-18-20-12(2)9-22(15)18)23(19(24)27)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21)
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20n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170130
PNG
(1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidaz...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26)
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22n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170140
PNG
(1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1
Show InChI InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22)
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23n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190443
PNG
(1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[...)
Show SMILES O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35)
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27n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109478
PNG
(4-(3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O5S/c1-2-9-27-11-14-16(25-27)23-19(28-18(14)22-17(26-28)15-4-3-10-33-15)24-20(29)21-12-5-7-13(8-6-12)34(30,31)32/h3-8,10-11H,2,9H2,1H3,(H,30,31,32)(H2,21,23,24,25,29)
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170139
PNG
(1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C
Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)
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31n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190440
PNG
(4-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propyl-...)
Show SMILES CCCc1nc(-c2ccccc2)c(C(=O)OCC)c(CC)c1C(=O)SCC
Show InChI InChI=1S/C22H27NO3S/c1-5-12-17-18(22(25)27-8-4)16(6-2)19(21(24)26-7-3)20(23-17)15-13-10-9-11-14-15/h9-11,13-14H,5-8,12H2,1-4H3
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33.3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190439
PNG
(1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,...)
Show SMILES OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H15N9O3/c28-7-6-26-10-12-14(24-26)22-17(23-18(29)20-11-3-1-5-19-9-11)27-16(12)21-15(25-27)13-4-2-8-30-13/h1-5,8-10,28H,6-7H2,(H2,20,22,23,24,29)
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34n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254856
PNG
(7-methyl-3-propyl-1-(pyridin-2-ylmethyl)-1H-imidaz...)
Show SMILES CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C17H18N6O2/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-6-4-5-7-18-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,20)
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34n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170134
PNG
(1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O
Show InChI InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21)
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36n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254896
PNG
(1-Benzyl-7-methyl-3-(2-hydroxy-ethyl)-1H,8Himidazo...)
Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1
Show InChI InChI=1S/C17H17N5O3/c1-11-9-21-13-14(19-16(21)18-11)22(10-12-5-3-2-4-6-12)17(25)20(7-8-23)15(13)24/h2-6,9,23H,7-8,10H2,1H3,(H,18,19)
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38n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109488
PNG
(4-(3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H16N8O5S/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(28)20-11-5-7-12(8-6-11)33(29,30)31/h3-10H,2H2,1H3,(H,29,30,31)(H2,20,22,23,24,28)
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40n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088462
PNG
(1-Phenyl-3-(2-pyridin-3-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
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51n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170143
PNG
(1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imida...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H23N5O3/c1-3-13-27-22(30)20-21(29(24(27)31)14-16-7-5-4-6-8-16)26-23-25-19(15-28(20)23)17-9-11-18(32-2)12-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)
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55n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254855
PNG
(7-methyl-3-propyl-1-(pyridin-3-ylmethyl)-1H-imidaz...)
Show SMILES CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C17H18N6O2/c1-3-7-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-5-4-6-18-8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,19,20)
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57n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170138
PNG
(1-Benzyl-7-ethyl-6-methyl-3-propyl-1H,8H-imidazo[2...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O
Show InChI InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(22-19-21-15(5-2)13(3)25(16)19)24(20(23)27)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22)
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60n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067097
PNG
(3,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(13-16(15)2)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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69n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
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