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9 similar compounds to monomer 191823

Compile data set for download or QSAR
Wt: 436.4
BDBM191776
Wt: 418.4
BDBM191774
Wt: 430.4
BDBM191775
Wt: 448.4
BDBM191799
Wt: 429.4
BDBM191800
Wt: 385.4
BDBM191804
Wt: 426.4
BDBM191785
Wt: 492.5
BDBM191846
Wt: 486.4
BDBM191822

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 191776,191774,191775,191799,191800,191804,191785,191846,191822   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191774
PNG
(US9187428, 2)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15FN6OS/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29)
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n/an/an/an/a 0.300n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191846
PNG
(US9187428, 74)
Show SMILES CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 0.300n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191785
PNG
(US9187428, 13)
Show SMILES Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
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n/an/an/an/a 0.0800n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191799
PNG
(US9187428, 27)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1
Show InChI InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 0.300n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191800
PNG
(US9187428, 28)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H19N7OS/c1-26-15-5-3-14(4-6-15)19-16(10-23)20(25)29-22(17(19)11-24)31-12-13-7-8-28-18(9-13)21(30)27-2/h3-9,26H,12H2,1-2H3,(H2,25,29)(H,27,30)
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n/an/an/an/a 0.400n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191804
PNG
(US9187428, 32)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15N5OS/c1-24-20(27)18-9-14(7-8-25-18)13-28-21-17(11-23)19(16(10-22)12-26-21)15-5-3-2-4-6-15/h2-9,12H,13H2,1H3,(H,24,27)
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n/an/an/an/a 0.400n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191822
PNG
(US9187428, 50)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1
Show InChI InChI=1S/C22H14F4N6OS/c1-30-20(33)17-6-11(4-5-31-17)10-34-21-14(9-28)18(13(8-27)19(29)32-21)12-2-3-16(23)15(7-12)22(24,25)26/h2-7H,10H2,1H3,(H2,29,32)(H,30,33)
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n/an/an/an/a 0.5n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 0.300n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191846
PNG
(US9187428, 74)
Show SMILES CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34)
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n/an/an/an/a 2.40n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191774
PNG
(US9187428, 2)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15FN6OS/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29)
PDB
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191775
PNG
(US9187428, 3)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H18N6O2S/c1-26-21(29)18-9-13(7-8-27-18)12-31-22-17(11-24)19(16(10-23)20(25)28-22)14-3-5-15(30-2)6-4-14/h3-9H,12H2,1-2H3,(H2,25,28)(H,26,29)
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n/an/an/an/a 425n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191785
PNG
(US9187428, 13)
Show SMILES Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
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n/an/an/an/a 108n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191799
PNG
(US9187428, 27)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1
Show InChI InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191800
PNG
(US9187428, 28)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H19N7OS/c1-26-15-5-3-14(4-6-15)19-16(10-23)20(25)29-22(17(19)11-24)31-12-13-7-8-28-18(9-13)21(30)27-2/h3-9,26H,12H2,1-2H3,(H2,25,29)(H,27,30)
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n/an/an/an/a 1.64E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191804
PNG
(US9187428, 32)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15N5OS/c1-24-20(27)18-9-14(7-8-25-18)13-28-21-17(11-23)19(16(10-22)12-26-21)15-5-3-2-4-6-15/h2-9,12H,13H2,1H3,(H,24,27)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191822
PNG
(US9187428, 50)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1
Show InChI InChI=1S/C22H14F4N6OS/c1-30-20(33)17-6-11(4-5-31-17)10-34-21-14(9-28)18(13(8-27)19(29)32-21)12-2-3-16(23)15(7-12)22(24,25)26/h2-7H,10H2,1H3,(H2,29,32)(H,30,33)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191846
PNG
(US9187428, 74)
Show SMILES CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191774
PNG
(US9187428, 2)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15FN6OS/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191775
PNG
(US9187428, 3)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H18N6O2S/c1-26-21(29)18-9-13(7-8-27-18)12-31-22-17(11-24)19(16(10-23)20(25)28-22)14-3-5-15(30-2)6-4-14/h3-9H,12H2,1-2H3,(H2,25,28)(H,26,29)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191785
PNG
(US9187428, 13)
Show SMILES Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
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n/an/an/an/a 46n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191799
PNG
(US9187428, 27)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1
Show InChI InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191800
PNG
(US9187428, 28)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H19N7OS/c1-26-15-5-3-14(4-6-15)19-16(10-23)20(25)29-22(17(19)11-24)31-12-13-7-8-28-18(9-13)21(30)27-2/h3-9,26H,12H2,1-2H3,(H2,25,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191804
PNG
(US9187428, 32)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C21H15N5OS/c1-24-20(27)18-9-14(7-8-25-18)13-28-21-17(11-23)19(16(10-22)12-26-21)15-5-3-2-4-6-15/h2-9,12H,13H2,1H3,(H,24,27)
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n/an/an/an/a 2.12E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191822
PNG
(US9187428, 50)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1
Show InChI InChI=1S/C22H14F4N6OS/c1-30-20(33)17-6-11(4-5-31-17)10-34-21-14(9-28)18(13(8-27)19(29)32-21)12-2-3-16(23)15(7-12)22(24,25)26/h2-7H,10H2,1H3,(H2,29,32)(H,30,33)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191776
PNG
(US9187428, 4 | US9187428, 53)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191775
PNG
(US9187428, 3)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H18N6O2S/c1-26-21(29)18-9-13(7-8-27-18)12-31-22-17(11-24)19(16(10-23)20(25)28-22)14-3-5-15(30-2)6-4-14/h3-9H,12H2,1-2H3,(H2,25,28)(H,26,29)
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n/an/an/an/a 0.200n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair