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10 similar compounds to monomer 191804

Compile data set for download or QSAR
Wt: 436.4
BDBM191776
Wt: 418.4
BDBM191774
Wt: 430.4
BDBM191775
Wt: 429.4
BDBM191800
Wt: 445.4
BDBM191802
Wt: 415.4
BDBM191803
Wt: 426.4
BDBM191785
Wt: 370.4
BDBM191837
Wt: 414.4
BDBM191838
Wt: 436.4
BDBM191823

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 191776,191774,191775,191800,191802,191803,191785,191837,191838,191823   
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))
BDBM191838
PNG
(US9187428, 66)
Show SMILES OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(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 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))
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))
BDBM191802
PNG
(US9187428, 30)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1
Show InChI InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30)
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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))
BDBM191803
PNG
(US9187428, 31)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28)
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n/an/an/an/a 1.60n/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))
BDBM191823
PNG
(US9187428, 51)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-4-11(2-3-28-17)10-31-21-16(9-25)18(15(8-24)19(26)29-21)12-5-13(22)7-14(23)6-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30)
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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
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))
BDBM191837
PNG
(US9187428, 65)
Show SMILES NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
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n/an/an/an/a 3.30n/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))
BDBM191838
PNG
(US9187428, 66)
Show SMILES OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(H,26,29)
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n/an/an/an/a 1.30n/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)
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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))
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))
BDBM191802
PNG
(US9187428, 30)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1
Show InChI InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30)
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n/an/an/an/a 1.11E+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))
BDBM191803
PNG
(US9187428, 31)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28)
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n/an/an/an/a 707n/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))
BDBM191823
PNG
(US9187428, 51)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-4-11(2-3-28-17)10-31-21-16(9-25)18(15(8-24)19(26)29-21)12-5-13(22)7-14(23)6-12/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))
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))
BDBM191837
PNG
(US9187428, 65)
Show SMILES NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
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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))
BDBM191838
PNG
(US9187428, 66)
Show SMILES OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(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))
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))
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))
BDBM191802
PNG
(US9187428, 30)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1
Show InChI InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30)
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n/an/an/an/a 122n/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))
BDBM191803
PNG
(US9187428, 31)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28)
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n/an/an/an/a 708n/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))
BDBM191823
PNG
(US9187428, 51)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C21H14F2N6OS/c1-27-20(30)17-4-11(2-3-28-17)10-31-21-16(9-25)18(15(8-24)19(26)29-21)12-5-13(22)7-14(23)6-12/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))
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))
BDBM191837
PNG
(US9187428, 65)
Show SMILES NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
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n/an/an/an/a 571n/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