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8 similar compounds to monomer 21190

Wt: 390.4
BDBM50151203
Wt: 363.3
BDBM50315598
Wt: 393.3
BDBM50315599
Wt: 343.4
BDBM50360184
Wt: 261.2
BDBM50360183
Wt: 303.3
BDBM50360186
Wt: 275.2
BDBM50360185
Wt: 271.2
BDBM50360199

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50151203,50315598,50315599,50360184,50360183,50360186,50360185,50360199   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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16.9n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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59.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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90.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50360185
PNG
(CHEMBL1927445)
Show SMILES Nc1nc(NCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C11H14N8O/c12-4-2-5-14-10-16-9(13)19-11(17-10)15-8(18-19)7-3-1-6-20-7/h1,3,6H,2,4-5,12H2,(H3,13,14,15,16,17,18)/p+1
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270n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

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)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50360183
PNG
(CHEMBL1926693)
Show SMILES Nc1nc(NCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)/p+1
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567n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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1.05E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [125I]-I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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1.35E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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1.94E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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2.70E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [125I]-I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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2.95E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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6.08E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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6.70E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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8.74E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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1.03E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360183
PNG
(CHEMBL1926693)
Show SMILES Nc1nc(NCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


Bioorg Med Chem 18: 2524-36 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360185
PNG
(CHEMBL1927445)
Show SMILES Nc1nc(NCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C11H14N8O/c12-4-2-5-14-10-16-9(13)19-11(17-10)15-8(18-19)7-3-1-6-20-7/h1,3,6H,2,4-5,12H2,(H3,13,14,15,16,17,18)/p+1
NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)

More data for this
Ligand-Target Pair