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Compile Data Set for Download or QSAR

Found 15 hits of non-affinity data for polymerid = 2130   
Target
(Institution)
LigandTarget
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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM21234
PNG
(2-mercaptopyrimidine analogue, 5m | N-{6-[(4-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21233
PNG
(2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21238
PNG
(2-mercaptopyrimidine analogue, 5q | N-[6-(cyclohex...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
Show InChI InChI=1S/C16H25N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19,20)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21223
PNG
(2-mercaptopyrimidine analogue, 5b | N-[6-methoxy-2...)
Show SMILES CCC(=O)Nc1cc(OC)nc(SC)n1
Show InChI InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21226
PNG
(2-mercaptopyrimidine analogue, 5e | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OC)n1
Show InChI InChI=1S/C10H15N3O2S/c1-4-5-16-10-12-8(11-7(2)14)6-9(13-10)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21228
PNG
(2-mercaptopyrimidine analogue, 5g | N-[6-propoxy-2...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SCCC)n1
Show InChI InChI=1S/C12H19N3O2S/c1-4-6-17-11-8-10(13-9(3)16)14-12(15-11)18-7-5-2/h8H,4-7H2,1-3H3,(H,13,14,15,16)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21230
PNG
(2-mercaptopyrimidine analogue, 5i | N-[2-(benzylsu...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-21-15-10-14(17-12(2)20)18-16(19-15)22-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21231
PNG
(2-mercaptopyrimidine analogue, 5j | N-[6-(benzylox...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21240
PNG
(2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...)
Show SMILES CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
Show InChI InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21235
PNG
(2-mercaptopyrimidine analogue, 5n | N-{6-[(2,4-dic...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21227
PNG
(2-mercaptopyrimidine analogue, 5f | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(=O)CC)cc(OC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21222
PNG
(2-mercaptopyrimidine analogue, 5a | N-[6-methoxy-2...)
Show SMILES COc1cc(NC(C)=O)nc(SC)n1
Show InChI InChI=1S/C8H11N3O2S/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21237
PNG
(2-mercaptopyrimidine analogue, 5p | N-[6-(2-phenyl...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
Show InChI InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
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n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair