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Patent code US10428083

Compile Data Set for Download or QSAR
Found 23 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415448
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)
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2.40n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415450
PNG
(3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...)
Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)
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2.70n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415451
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)
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2.80n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415449
PNG
(3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...)
Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)
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5.20n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415452
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)
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6.40n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM415453
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)
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12n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415451
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)
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100n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415448
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)
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120n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415450
PNG
(3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...)
Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)
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270n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415449
PNG
(3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...)
Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)
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280n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM415453
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)
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330n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415448
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)
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330n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415451
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)
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590n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415453
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)
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790n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415449
PNG
(3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...)
Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)
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950n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415450
PNG
(3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...)
Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)
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1.10E+3n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415452
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)
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1.50E+3n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM415452
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)
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1.70E+3n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM415453
PNG
(3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)
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3.30E+3n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM415449
PNG
(3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...)
Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)
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6.80E+3n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM415448
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
1.10E+4n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM415451
PNG
(3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...)
Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O
Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)
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UniChem
US Patent
1.40E+4n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM415450
PNG
(3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...)
Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
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UniChem
US Patent
1.60E+5n/an/an/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...


US Patent US10428083 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03BH9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%