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Patent code US10253017

Compile Data Set for Download or QSAR
Found 22 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 A2b


(Homo sapiens (Human))
BDBM375232
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H10ClFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)
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12n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375233
PNG
(3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)p...)
Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H10BrFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)
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13n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375229
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)
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23.9n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375234
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...)
Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1
Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)
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24n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375227
PNG
(3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...)
Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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34.5n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375230
PNG
(3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)p...)
Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10BrFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)
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37n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375228
PNG
(3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...)
Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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46.1n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375226
PNG
(5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)pyridin-2...)
Show SMILES Nc1ccc(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H11FN4/c16-13-9-11(5-8-19-13)12-1-2-14(17)20-15(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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149n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM375231
PNG
(3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1
Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)
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150n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375228
PNG
(3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...)
Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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300n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375227
PNG
(3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...)
Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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500n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375232
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H10ClFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)
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555n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375233
PNG
(3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)p...)
Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H10BrFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)
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1.30E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375229
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)
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4.80E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375226
PNG
(5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)pyridin-2...)
Show SMILES Nc1ccc(-c2ccnc(F)c2)c(n1)-c1ccncc1
Show InChI InChI=1S/C15H11FN4/c16-13-9-11(5-8-19-13)12-1-2-14(17)20-15(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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>5.00E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375234
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...)
Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1
Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)
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>5.00E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375230
PNG
(3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)p...)
Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10BrFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)
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>5.00E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM375231
PNG
(3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1
Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)
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>5.00E+3n/an/an/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM375229
PNG
(3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)
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n/an/a 98n/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM375227
PNG
(3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...)
Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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n/an/a 130n/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM375228
PNG
(3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...)
Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1
Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)
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n/an/a 140n/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM375231
PNG
(3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...)
Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1
Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



Palobiofarma, S.L.

US Patent


Assay Description
The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...


US Patent US10253017 (2019)


BindingDB Entry DOI: 10.7270/Q2ZP48FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%