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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'andreini' and Initial = 'm'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088465
PNG
(1-Phenyl-3-(3-pyridin-2-yl-isoquinolin-1-yl)-urea ...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H16N4O/c26-21(23-16-9-2-1-3-10-16)25-20-17-11-5-4-8-15(17)14-19(24-20)18-12-6-7-13-22-18/h1-14H,(H2,23,24,25,26)
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76n/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))
BDBM50088473
PNG
(1-Phenyl-3-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ure...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
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82n/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))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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85n/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))
BDBM50067111
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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96n/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))
BDBM50190452
PNG
(CHEMBL425954 | diethyl 2,4-diethyl-6-phenylpyridin...)
Show SMILES CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C21H25NO4/c1-5-15-17(20(23)25-7-3)16(6-2)22-19(14-12-10-9-11-13-14)18(15)21(24)26-8-4/h9-13H,5-8H2,1-4H3
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120n/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))
BDBM50067099
PNG
(3-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-9-6-8-16(13-17)22(26)25-21-18-10-3-2-7-15(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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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))
BDBM50190436
PNG
(4-Ethyl-2-methyl-6-phenyl-pyridine-3,5-dicarboxyli...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12H,5-7H2,1-4H3
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180n/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))
BDBM50088469
PNG
(1-(2-(diethylamino)quinazolin-4-yl)-3-phenylurea |...)
Show SMILES CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25)
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180n/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))
BDBM50190449
PNG
(2-hydroxyethyl 4,6-diethyl-5-(ethylthiocarbonyl)-2...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCO)c1CC
Show InChI InChI=1S/C21H25NO4S/c1-4-15-17(21(25)27-6-3)16(5-2)22-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-23/h7-11,23H,4-6,12-13H2,1-3H3
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188n/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))
BDBM50190448
PNG
(5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl...)
Show SMILES CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC
Show InChI InChI=1S/C21H25NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13H,5-7,11H2,1-4H3
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194n/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))
BDBM50067114
PNG
(4-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H14ClN3O/c22-16-10-8-14(9-11-16)21(26)25-20-17-6-2-1-5-15(17)13-19(24-20)18-7-3-4-12-23-18/h1-13H,(H,24,25,26)
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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))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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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))
BDBM50190442
PNG
(2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...)
Show SMILES CCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C20H23NO4/c1-5-12-25-19(22)16-13(3)17(20(23)24-6-2)18(21-14(16)4)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3
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210n/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))
BDBM50081671
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C22H28NO3S/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3/h10-14H,6-9H2,1-5H3/q+1
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219n/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))
BDBM50067095
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-7-6-9-17(13-15)22(26)25-21-18-10-3-2-8-16(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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240n/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))
BDBM50190444
PNG
(1-(2-(3-methylpyridin-2-yl)quinazolin-4-yl)-3-phen...)
Show SMILES Cc1cccnc1-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C21H17N5O/c1-14-8-7-13-22-18(14)20-24-17-12-6-5-11-16(17)19(25-20)26-21(27)23-15-9-3-2-4-10-15/h2-13H,1H3,(H2,23,24,25,26,27)
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260n/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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