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Compile Data Set for Download or QSAR

Found 1551 hits with Last Name = 'jessing' and Initial = 'm'   
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
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279100
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H29N7O/c1-6-15(4)30-22-20(25-13-17-11-14(3)27-28-17)12-19(26-21(22)16(5)29-30)18-9-8-10-24-23(18)31-7-2/h8-12,15H,6-7,13H2,1-5H3,(H,25,26)(H,27,28)
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n/an/a 0.0420n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279101
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(1-methylimidaz...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H29N7O/c1-6-15(3)30-22-20(25-12-17-13-29(5)14-26-17)11-19(27-21(22)16(4)28-30)18-9-8-10-24-23(18)31-7-2/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
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n/an/a 0.0450n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279063
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-10-31-23-18(8-7-9-24-23)19-11-20(25-12-17-13-26-29(5)14-17)22-21(27-19)16(4)28-30(22)15(2)3/h7-9,11,13-15H,6,10,12H2,1-5H3,(H,25,27)
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n/an/a 0.0650n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279017
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)26-27-16)21-20(25-18)15(5)28-29(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)(H,26,27)
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n/an/a 0.0690n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278972
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)
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n/an/a 0.0710n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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n/an/a 0.0900n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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US Patent
n/an/a 0.0900n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279114
PNG
(1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H28N8O/c1-6-10-31-22-16(8-7-9-23-22)17-11-18(24-12-19-25-13-29(5)28-19)21-20(26-17)15(4)27-30(21)14(2)3/h7-9,11,13-14H,6,10,12H2,1-5H3,(H,24,26)
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n/an/a 0.0950n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279104
PNG
(3-methyl-1-[1-methylpropyl]-5-(2-propoxy-3-pyridyl...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H29N7O/c1-5-12-31-23-18(8-7-10-24-23)19-13-20(25-14-17-9-11-26-28-17)22-21(27-19)16(4)29-30(22)15(3)6-2/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,25,27)(H,26,28)
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n/an/a 0.0950n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279111
PNG
(1-isopropyl-3-methyl-N-[(1-methylimidazol-4-yl)met...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-10-31-23-18(8-7-9-24-23)19-11-20(25-12-17-13-29(5)14-26-17)22-21(27-19)16(4)28-30(22)15(2)3/h7-9,11,13-15H,6,10,12H2,1-5H3,(H,25,27)
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n/an/a 0.100n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279001
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-6-30-21-15(8-7-9-22-21)16-10-17(23-11-18-24-12-28(5)27-18)20-19(25-16)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,25)
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n/an/a 0.110n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278973
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)on2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)30-27-16)21-20(25-18)15(5)26-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)
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n/an/a 0.110n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279103
PNG
(3-methyl-1-[1-methylpropyl]-N-[(1-methyl-1,2,4-tri...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H30N8O/c1-6-11-32-23-17(9-8-10-24-23)18-12-19(25-13-20-26-14-30(5)29-20)22-21(27-18)16(4)28-31(22)15(3)7-2/h8-10,12,14-15H,6-7,11,13H2,1-5H3,(H,25,27)
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n/an/a 0.120n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279101
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(1-methylimidaz...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H29N7O/c1-6-15(3)30-22-20(25-12-17-13-29(5)14-26-17)11-19(27-21(22)16(4)28-30)18-9-8-10-24-23(18)31-7-2/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
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n/an/a 0.140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279038
PNG
(3-methyl-1-[1-methylpropyl]-N-[(2-methyltetrazol-5...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H29N9O/c1-6-11-32-22-16(9-8-10-23-22)17-12-18(24-13-19-26-29-30(5)28-19)21-20(25-17)15(4)27-31(21)14(3)7-2/h8-10,12,14H,6-7,11,13H2,1-5H3,(H,24,25)
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n/an/a 0.140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279002
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-17(8-7-9-23-22)18-10-19(25-12-16-11-24-15(5)30-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,25,26)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279090
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H28N8O/c1-6-14(3)30-21-18(24-12-19-25-13-29(5)28-19)11-17(26-20(21)15(4)27-30)16-9-8-10-23-22(16)31-7-2/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,26)
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n/an/a 0.150n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279135
PNG
(5-(2-ethoxy-3-pyridyl)-N-[[5-(fluoromethyl)isoxazo...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(CF)on2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H25FN6O2/c1-5-30-22-17(7-6-8-24-22)18-10-19(25-12-15-9-16(11-23)31-28-15)21-20(26-18)14(4)27-29(21)13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H,25,26)
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n/an/a 0.160n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279073
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-4...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccnc(OC)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(8-7-10-26-24)19-13-20(27-14-17-9-11-25-21(12-17)31-5)23-22(28-19)16(4)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279028
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-28(5)13-25-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279022
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-24-14(5)30-27-18)20-19(25-16)13(4)26-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,25)
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n/an/a 0.170n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279024
PNG
(N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-7-31-23-18(9-8-10-24-23)19-12-20(25-13-17-11-15(4)29(6)28-17)22-21(26-19)16(5)27-30(22)14(2)3/h8-12,14H,7,13H2,1-6H3,(H,25,26)
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n/an/a 0.180n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278976
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)nn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-6-30-21-16(8-7-9-22-21)17-10-18(23-11-15-12-28(5)27-25-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,24)
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279054
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(2-fluoro-3-pyridyl)meth...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2F)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H25FN6O/c1-5-31-23-17(9-7-11-26-23)18-12-19(27-13-16-8-6-10-25-22(16)24)21-20(28-18)15(4)29-30(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,27,28)
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279047
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[[2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2C(F)(F)F)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H25F3N6O/c1-5-34-23-17(9-7-11-29-23)18-12-19(21-20(31-18)15(4)32-33(21)14(2)3)30-13-16-8-6-10-28-22(16)24(25,26)27/h6-12,14H,5,13H2,1-4H3,(H,30,31)
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279008
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)o2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)
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n/an/a 0.240n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279097
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(5-methyl-1,2,4...)
Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H27N7O2/c1-6-13(3)29-21-18(24-12-19-25-15(5)31-28-19)11-17(26-20(21)14(4)27-29)16-9-8-10-23-22(16)30-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,24,26)
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279050
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxy-2...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(OC)ccn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-19(8-7-10-26-24)20-13-21(27-14-17-12-18(31-5)9-11-25-17)23-22(28-20)16(4)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279112
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-5-11-30-22-17(7-6-9-23-22)18-12-19(24-13-16-8-10-25-27-16)21-20(26-18)15(4)28-29(21)14(2)3/h6-10,12,14H,5,11,13H2,1-4H3,(H,24,26)(H,25,27)
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279111
PNG
(1-isopropyl-3-methyl-N-[(1-methylimidazol-4-yl)met...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-10-31-23-18(8-7-9-24-23)19-11-20(25-12-17-13-29(5)14-26-17)22-21(27-19)16(4)28-30(22)15(2)3/h7-9,11,13-15H,6,10,12H2,1-5H3,(H,25,27)
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279088
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H27N7O/c1-5-14(3)29-21-19(24-13-16-9-11-25-27-16)12-18(26-20(21)15(4)28-29)17-8-7-10-23-22(17)30-6-2/h7-12,14H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)
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n/an/a 0.270n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279068
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)
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n/an/a 0.310n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.310n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.310n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279096
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C21H27N9O/c1-6-13(3)30-20-17(23-12-18-25-28-29(5)27-18)11-16(24-19(20)14(4)26-30)15-9-8-10-22-21(15)31-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,23,24)
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n/an/a 0.310n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279094
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(5-methoxy-3-pyridyl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C25H30N6O2/c1-6-16(3)31-24-22(28-14-18-11-19(32-5)15-26-13-18)12-21(29-23(24)17(4)30-31)20-9-8-10-27-25(20)33-7-2/h8-13,15-16H,6-7,14H2,1-5H3,(H,28,29)
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n/an/a 0.320n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242031
PNG
(US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
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n/an/a 0.330n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)


BindingDB Entry DOI: 10.7270/Q2NC604C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242031
PNG
(US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
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n/an/a 0.330n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...


US Patent US9593105 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279044
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(pyr...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncccn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H25N7O/c1-5-30-22-16(8-6-9-25-22)17-12-18(26-13-19-23-10-7-11-24-19)21-20(27-17)15(4)28-29(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,26,27)
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US Patent
n/an/a 0.340n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278978
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C20H25N9O/c1-6-30-20-14(8-7-9-21-20)15-10-16(22-11-17-24-27-28(5)26-17)19-18(23-15)13(4)25-29(19)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,22,23)
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US Patent
n/an/a 0.340n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279100
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C23H29N7O/c1-6-15(4)30-22-20(25-13-17-11-14(3)27-28-17)12-19(26-21(22)16(5)29-30)18-9-8-10-24-23(18)31-7-2/h8-12,15H,6-7,13H2,1-5H3,(H,25,26)(H,27,28)
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US Patent
n/an/a 0.350n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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n/an/a 0.360n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279077
PNG
(3-[[[5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-p...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccn(C)c2=O)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-23-18(10-7-11-25-23)19-13-20(26-14-17-9-8-12-29(5)24(17)31)22-21(27-19)16(4)28-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,26,27)
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US Patent
n/an/a 0.360n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279024
PNG
(N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-7-31-23-18(9-8-10-24-23)19-12-20(25-13-17-11-15(4)29(6)28-17)22-21(26-19)16(5)27-30(22)14(2)3/h8-12,14H,7,13H2,1-6H3,(H,25,26)
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n/an/a 0.390n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279069
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2-p...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccccn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H26N6O/c1-5-30-23-18(10-8-12-25-23)19-13-20(26-14-17-9-6-7-11-24-17)22-21(27-19)16(4)28-29(22)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,26,27)
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n/an/a 0.390n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279003
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7OS/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
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n/an/a 0.410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279114
PNG
(1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H28N8O/c1-6-10-31-22-16(8-7-9-23-22)17-11-18(24-12-19-25-13-29(5)28-19)21-20(26-17)15(4)27-30(21)14(2)3/h7-9,11,13-14H,6,10,12H2,1-5H3,(H,24,26)
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n/an/a 0.410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
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