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Compile Data Set for Download or QSAR

Found 10 hits of non-affinity data for polymerid = 2129   
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 Receptor A1


(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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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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 A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM21224
PNG
(2-mercaptopyrimidine analogue, 5c | N-[2-(methylsu...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SC)n1
Show InChI InChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/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 A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM21225
PNG
(2-mercaptopyrimidine analogue, 5d | N-[2-(methylsu...)
Show SMILES CCCOc1cc(NC(=O)CC)nc(SC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-16-10-7-8(12-9(15)5-2)13-11(14-10)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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 A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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 A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(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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PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


Citation and Details
More data for this
Ligand-Target Pair