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PubMed code 20095623

Compile data set for download or QSAR
Found 56 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


(Homo sapiens (human))
BDBM50306775
PNG
(1,4-diamino-N-butyl-9,10-dioxo-9,10-dihydroanthrac...)
Show SMILES CCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N
Show InChI InChI=1S/C19H19N3O3/c1-2-3-8-22-19(25)12-9-13(20)14-15(16(12)21)18(24)11-7-5-4-6-10(11)17(14)23/h4-7,9H,2-3,8,20-21H2,1H3,(H,22,25)
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12n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306766
PNG
(CHEMBL604535 | N2-(5-chloro-2-methoxyphenyl)-6-(3-...)
Show SMILES COc1ccc(Cl)cc1Nc1nc(N)nc(n1)-c1oc2ccccc2c1C
Show InChI InChI=1S/C19H16ClN5O2/c1-10-12-5-3-4-6-14(12)27-16(10)17-23-18(21)25-19(24-17)22-13-9-11(20)7-8-15(13)26-2/h3-9H,1-2H3,(H3,21,22,23,24,25)
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PubMed
32n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306768
PNG
(2-amino-4-phenylbenzofuro[3,2-b]pyridine-3-carboni...)
Show SMILES Nc1nc2c3ccccc3oc2c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)
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60n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306769
PNG
(1-amino-4-chloroanthracene-9,10-dione | CHEMBL6030...)
Show SMILES Nc1ccc(Cl)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8ClNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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250n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306776
PNG
(3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydr...)
Show SMILES Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C18H14FN3O2S/c19-11-4-1-2-5-13(11)21-17(24)16-15(20)10-8-9-12(22-18(10)25-16)6-3-7-14(9)23/h1-2,4-5,8H,3,6-7,20H2,(H,21,24)
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300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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320n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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530n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306787
PNG
(2-amino-3-(3-(trifluoromethyl)phenylamino)naphthal...)
Show SMILES NC1=C(Nc2cccc(c2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H11F3N2O2/c18-17(19,20)9-4-3-5-10(8-9)22-14-13(21)15(23)11-6-1-2-7-12(11)16(14)24/h1-8,22H,21H2
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560n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306767
PNG
(5-amino-6-cyano-7-phenyl-2-(phenylamino)thieno[3,2...)
Show SMILES NC(=O)c1c(Nc2ccccc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12
Show InChI InChI=1S/C21H15N5OS/c22-11-14-15(12-7-3-1-4-8-12)18-17(26-19(14)23)16(20(24)27)21(28-18)25-13-9-5-2-6-10-13/h1-10,25H,(H2,23,26)(H2,24,27)
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630n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306770
PNG
(6-amino-3-methyl-2H-naphtho[1,2,3-de]quinoline-2,7...)
Show SMILES Cn1c2ccc(N)c3C(=O)c4ccccc4-c(cc1=O)c23
Show InChI InChI=1S/C17H12N2O2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,18H2,1H3
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640n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306786
PNG
(2-amino-3-(m-tolylamino)naphthalene-1,4-dione | CH...)
Show SMILES Cc1cccc(NC2=C(N)C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C17H14N2O2/c1-10-5-4-6-11(9-10)19-15-14(18)16(20)12-7-2-3-8-13(12)17(15)21/h2-9,19H,18H2,1H3
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800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306777
PNG
(3-amino-5-oxo-N-(thiazol-2-yl)-5,6,7,8-tetrahydrot...)
Show SMILES Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H12N4O2S2/c16-11-8-6-7-9(2-1-3-10(7)20)18-14(8)23-12(11)13(21)19-15-17-4-5-22-15/h4-6H,1-3,16H2,(H,17,19,21)
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1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306773
PNG
(1-amino-2-phenoxyanthracene-9,10-dione | CHEMBL601...)
Show SMILES Nc1c(Oc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C20H13NO3/c21-18-16(24-12-6-2-1-3-7-12)11-10-15-17(18)20(23)14-9-5-4-8-13(14)19(15)22/h1-11H,21H2
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1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306778
PNG
((3-amino-6-propylthieno[2,3-b]pyridin-2-yl)(phenyl...)
Show SMILES CCCc1ccc2c(N)c(sc2n1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2OS/c1-2-6-12-9-10-13-14(18)16(21-17(13)19-12)15(20)11-7-4-3-5-8-11/h3-5,7-10H,2,6,18H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306772
PNG
(1-amino-2,4-bis(phenylthio)anthracene-9,10-dione |...)
Show SMILES Nc1c(Sc2ccccc2)cc(Sc2ccccc2)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C26H17NO2S2/c27-24-21(31-17-11-5-2-6-12-17)15-20(30-16-9-3-1-4-10-16)22-23(24)26(29)19-14-8-7-13-18(19)25(22)28/h1-15H,27H2
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1.90E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306788
PNG
(3-Amino-6-methyl-5,6,7,8-tetrahydro-thieno[2,3-b:4...)
Show SMILES CN1CCc2sc3nc(C(=O)Nc4ccc(F)cc4)c(N)cc3c2C1
Show InChI InChI=1S/C18H17FN4OS/c1-23-7-6-15-13(9-23)12-8-14(20)16(22-18(12)25-15)17(24)21-11-4-2-10(19)3-5-11/h2-5,8H,6-7,9,20H2,1H3,(H,21,24)
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2.20E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306745
PNG
((3-amino-5-bromobenzofuran-2-yl)(phenyl)methanone ...)
Show SMILES Nc1c(oc2ccc(Br)cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10BrNO2/c16-10-6-7-12-11(8-10)13(17)15(19-12)14(18)9-4-2-1-3-5-9/h1-8H,17H2
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2.20E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306779
PNG
(3-amino-N-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrah...)
Show SMILES CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1
Show InChI InChI=1S/C18H17ClN4OS/c1-23-7-6-14-10(9-23)8-13-15(20)16(25-18(13)22-14)17(24)21-12-4-2-11(19)3-5-12/h2-5,8H,6-7,9,20H2,1H3,(H,21,24)
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2.70E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306789
PNG
(3-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1
Show InChI InChI=1S/C19H23N7O2/c1-12-5-7-13(8-6-12)21-17-23-14(22-16(20)24-17)11-26-15(27)19(25-18(26)28)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,25,28)(H3,20,21,22,23,24)
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2.80E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306747
PNG
(4-amino-2-p-tolylisoindoline-1,3-dione | CHEMBL600...)
Show SMILES Cc1ccc(cc1)N1C(=O)c2cccc(N)c2C1=O
Show InChI InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
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2.90E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50094891
PNG
(1-Amino-anthraquinone | 1-Aminoquinone | 1-aminoan...)
Show SMILES Nc1cccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
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3.20E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306790
PNG
(2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES CC(SCc1nc(N)nc(Nc2ccc(C)cc2)n1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H23ClN6OS/c1-13-7-9-16(10-8-13)25-21-27-18(26-20(23)28-21)12-30-14(2)19(29)24-11-15-5-3-4-6-17(15)22/h3-10,14H,11-12H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)
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6.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306760
PNG
(2-(4-amino-5-cyanopyrimidin-2-ylthio)-N-(3-cyano-3...)
Show SMILES Nc1nc(SCC(=O)NC2=C(C#N)C3CCCCC3S2)ncc1C#N
Show InChI InChI=1S/C16H16N6OS2/c17-5-9-7-20-16(22-14(9)19)24-8-13(23)21-15-11(6-18)10-3-1-2-4-12(10)25-15/h7,10,12H,1-4,8H2,(H,21,23)(H2,19,20,22)
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6.10E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306785
PNG
(3-amino-N-(4-chlorophenyl)thieno[2,3-b]pyridine-2-...)
Show SMILES Nc1c(sc2ncccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3OS/c15-8-3-5-9(6-4-8)18-13(19)12-11(16)10-2-1-7-17-14(10)20-12/h1-7H,16H2,(H,18,19)
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6.90E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306780
PNG
((3-amino-6-ethyl-5-methylthieno[2,3-b]pyridin-2-yl...)
Show SMILES CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2cc1C
Show InChI InChI=1S/C17H15ClN2OS/c1-3-13-9(2)7-12-14(19)16(22-17(12)20-13)15(21)10-5-4-6-11(18)8-10/h4-8H,3,19H2,1-2H3
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9.10E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306797
PNG
(6-((5-amino-1,3,4-thiadiazol-2-ylthio)methyl)-N2-(...)
Show SMILES Nc1nnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)s1
Show InChI InChI=1S/C12H11FN8S2/c13-6-1-3-7(4-2-6)16-11-18-8(17-9(14)19-11)5-22-12-21-20-10(15)23-12/h1-4H,5H2,(H2,15,20)(H3,14,16,17,18,19)
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1.30E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306791
PNG
(6-((5-amino-1,3,4-thiadiazol-2-ylthio)methyl)-N2-(...)
Show SMILES COc1ccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)cc1
Show InChI InChI=1S/C13H14N8OS2/c1-22-8-4-2-7(3-5-8)16-12-18-9(17-10(14)19-12)6-23-13-21-20-11(15)24-13/h2-5H,6H2,1H3,(H2,15,20)(H3,14,16,17,18,19)
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1.40E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306782
PNG
(3-amino-N-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno...)
Show SMILES Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14(10)21-18(13)26-16(15)17(23)20-11-5-7-12(8-6-11)22(24)25/h5-9H,1-4,19H2,(H,20,23)
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1.50E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306748
PNG
(2-methoxyethyl 5-amino-4-cyano-3-methylthiophene-2...)
Show SMILES COCCOC(=O)c1sc(N)c(C#N)c1C
Show InChI InChI=1S/C10H12N2O3S/c1-6-7(5-11)9(12)16-8(6)10(13)15-4-3-14-2/h3-4,12H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306792
PNG
(2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1
Show InChI InChI=1S/C13H17N5OS/c1-9-2-4-10(5-3-9)15-13-17-11(8-20-7-6-19)16-12(14)18-13/h2-5,19H,6-8H2,1H3,(H3,14,15,16,17,18)
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1.70E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306751
PNG
(6-amino-1-cyclopropyl-5-(2-(1-(4-methoxyphenyl)-1H...)
Show SMILES COc1ccc(cc1)-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H19N5O4S/c1-28-13-6-4-11(5-7-13)23-9-8-21-19(23)29-10-14(25)15-16(20)24(12-2-3-12)18(27)22-17(15)26/h4-9,12H,2-3,10,20H2,1H3,(H,22,26,27)
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2.50E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306793
PNG
(2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES CC(SCc1nc(N)nc(Nc2ccc(C)cc2)n1)C(=O)N1CCCCCC1
Show InChI InChI=1S/C20H28N6OS/c1-14-7-9-16(10-8-14)22-20-24-17(23-19(21)25-20)13-28-15(2)18(27)26-11-5-3-4-6-12-26/h7-10,15H,3-6,11-13H2,1-2H3,(H3,21,22,23,24,25)
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3.30E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306746
PNG
(3-(5-amino-4-carbamoyloxazol-2-yl)phenyl acetate |...)
Show SMILES CC(=O)Oc1cccc(c1)-c1nc(C(N)=O)c(N)o1
Show InChI InChI=1S/C12H11N3O4/c1-6(16)18-8-4-2-3-7(5-8)12-15-9(10(13)17)11(14)19-12/h2-5H,14H2,1H3,(H2,13,17)
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3.60E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306749
PNG
(1-(4-amino-3-(5-chloro-2-fluorophenylamino)isothia...)
Show SMILES CC(=O)c1snc(Nc2cc(Cl)ccc2F)c1N
Show InChI InChI=1S/C11H9ClFN3OS/c1-5(17)10-9(14)11(16-18-10)15-8-4-6(12)2-3-7(8)13/h2-4H,14H2,1H3,(H,15,16)
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4.10E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306794
PNG
(2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CSCC(=O)NC3CC3)n2)cc1
Show InChI InChI=1S/C16H20N6OS/c1-10-2-4-12(5-3-10)19-16-21-13(20-15(17)22-16)8-24-9-14(23)18-11-6-7-11/h2-5,11H,6-9H2,1H3,(H,18,23)(H3,17,19,20,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306783
PNG
(CHEMBL600388 | N-(4-acetylphenyl)-3-amino-5,6,7,8-...)
Show SMILES CC(=O)c1ccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)cc1
Show InChI InChI=1S/C20H19N3O2S/c1-11(24)12-6-8-14(9-7-12)22-19(25)18-17(21)15-10-13-4-2-3-5-16(13)23-20(15)26-18/h6-10H,2-5,21H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306784
PNG
(3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-...)
Show SMILES Nc1c(sc2ncccc12)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H10ClN3OS/c15-9-5-1-2-6-10(9)18-13(19)12-11(16)8-4-3-7-17-14(8)20-12/h1-7H,16H2,(H,18,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26596
PNG
(3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid ...)
Show SMILES Nc1ncnc2nc(SCCC(O)=O)[nH]c12
Show InChI InChI=1S/C8H9N5O2S/c9-6-5-7(11-3-10-6)13-8(12-5)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306758
PNG
(2-amino-6,7-dimethyl-4-oxo-4H-chromene-3-carbaldeh...)
Show SMILES Cc1cc2oc(N)c(C=O)c(=O)c2cc1C
Show InChI InChI=1S/C12H11NO3/c1-6-3-8-10(4-7(6)2)16-12(13)9(5-14)11(8)15/h3-5H,13H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306795
PNG
(2-((4-amino-6-(o-tolylamino)-1,3,5-triazin-2-yl)me...)
Show SMILES Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1
Show InChI InChI=1S/C20H22N6OS/c1-13-7-3-5-9-15(13)22-18(27)12-28-11-17-24-19(21)26-20(25-17)23-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,22,27)(H3,21,23,24,25,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306764
PNG
(CHEMBL601229 | ethyl 1-amino-3-bromo-6-(4-bromophe...)
Show SMILES CCOC(=O)c1cc(cc2c(N)sc(Br)c12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13Br2NO2S/c1-2-22-17(21)13-8-10(9-3-5-11(18)6-4-9)7-12-14(13)15(19)23-16(12)20/h3-8H,2,20H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306774
PNG
((E)-1-amino-2-((phenylimino)methyl)anthracene-9,10...)
Show SMILES Nc1c(\C=N\c2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C21H14N2O2/c22-19-13(12-23-14-6-2-1-3-7-14)10-11-17-18(19)21(25)16-9-5-4-8-15(16)20(17)24/h1-12H,22H2/b23-12+
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306755
PNG
(2-(4-aminophenyl)-1H-benzo[d]imidazol-4-amine | CH...)
Show SMILES Nc1ccc(cc1)-c1nc2c(N)cccc2[nH]1
Show InChI InChI=1S/C13H12N4/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H,14-15H2,(H,16,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306762
PNG
(5-(2-amino-9H-purin-6-ylthio)pentanoic acid | CHEM...)
Show SMILES Nc1nc(SCCCCC(O)=O)c2[nH]cnc2n1
Show InChI InChI=1S/C10H13N5O2S/c11-10-14-8-7(12-5-13-8)9(15-10)18-4-2-1-3-6(16)17/h5H,1-4H2,(H,16,17)(H3,11,12,13,14,15)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306757
PNG
(CHEMBL591926 | ethyl 4-amino-2-(3-amino-3-oxopropy...)
Show SMILES CCOC(=O)c1cnc(SCCC(N)=O)nc1N
Show InChI InChI=1S/C10H14N4O3S/c1-2-17-9(16)6-5-13-10(14-8(6)12)18-4-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H2,12,13,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306752
PNG
(3-[2-(4-Amino-5,8-dihydro-6H-pyrido[4',3':4,5]thie...)
Show SMILES Nc1ncnc2sc3CN(CCc3c12)C(=O)CN1CSCC1=O
Show InChI InChI=1S/C14H15N5O2S2/c15-13-12-8-1-2-18(3-9(8)23-14(12)17-6-16-13)10(20)4-19-7-22-5-11(19)21/h6H,1-5,7H2,(H2,15,16,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306763
PNG
(2-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropy...)
Show SMILES Cc1nc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H16N4O5/c1-9-11(7-10-5-3-4-6-12(10)20-9)17(25)27-8-13(23)14-15(19)22(2)18(26)21-16(14)24/h3-7H,8,19H2,1-2H3,(H,21,24,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306753
PNG
(2-(benzo[d][1,3]dioxol-5-yl)-5-imino-9-methyl-5H-c...)
Show SMILES Cc1ccc2oc(=N)c3c(N)nc(cc3c2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H15N3O3/c1-10-2-4-15-12(6-10)13-8-14(23-19(21)18(13)20(22)26-15)11-3-5-16-17(7-11)25-9-24-16/h2-8,22H,9H2,1H3,(H2,21,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306756
PNG
(2-(4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio)ac...)
Show SMILES CCOC(=O)c1cnc(SCC(O)=O)nc1N
Show InChI InChI=1S/C9H11N3O4S/c1-2-16-8(15)5-3-11-9(12-7(5)10)17-4-6(13)14/h3H,2,4H2,1H3,(H,13,14)(H2,10,11,12)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306759
PNG
(2-amino-6-(2-(2,4-dimethylphenyl)-2-oxoethylthio)-...)
Show SMILES Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c(C)c1
Show InChI InChI=1S/C21H16N4OS2/c1-12-5-6-14(13(2)8-12)17(26)11-28-21-16(10-23)19(18-4-3-7-27-18)15(9-22)20(24)25-21/h3-8H,11H2,1-2H3,(H2,24,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306781
PNG
(5-amino-N-(4-fluorophenyl)-7-thia-1,9-diazatetracy...)
Show SMILES Nc1c(sc2nc3C4CCN(CC4)c3cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4OS/c20-11-1-3-12(4-2-11)22-18(25)17-15(21)13-9-14-16(23-19(13)26-17)10-5-7-24(14)8-6-10/h1-4,9-10H,5-8,21H2,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306765
PNG
(2-(3-amino-2-oxo-2H-chromen-4-ylamino)benzoic acid...)
Show SMILES Nc1c(Nc2ccccc2C(O)=O)c2ccccc2oc1=O
Show InChI InChI=1S/C16H12N2O4/c17-13-14(10-6-2-4-8-12(10)22-16(13)21)18-11-7-3-1-5-9(11)15(19)20/h1-8,18H,17H2,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306754
PNG
(2-(3-amino-1-phenyl-1H-1,2,4-triazol-5-ylthio)-N-m...)
Show SMILES CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306750
PNG
(2-amino-6-(1-(2-chlorobenzylamino)-1-oxopropan-2-y...)
Show SMILES CC(Sc1nc(N)c(cc1C#N)C(=O)Nc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN5O2S/c1-14(21(30)27-13-15-7-5-6-10-19(15)24)32-23-16(12-25)11-18(20(26)29-23)22(31)28-17-8-3-2-4-9-17/h2-11,14H,13H2,1H3,(H2,26,29)(H,27,30)(H,28,31)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306761
PNG
(2,6-Diamino-4-p-tolyl-benzo[1,2-b:4,5-b']difuran-3...)
Show SMILES COC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OC)c(N)oc3cc12
Show InChI InChI=1S/C21H18N2O6/c1-9-4-6-10(7-5-9)13-15-12(28-19(23)16(15)21(25)27-3)8-11-14(20(24)26-2)18(22)29-17(11)13/h4-8H,22-23H2,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50306796
PNG
(6-(([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl)...)
Show SMILES Nc1nc(CSc2nnc3ccccn23)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H13FN8S/c17-10-4-6-11(7-5-10)19-15-21-12(20-14(18)22-15)9-26-16-24-23-13-3-1-2-8-25(13)16/h1-8H,9H2,(H3,18,19,20,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%