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Patent code US10023575

Compile Data Set for Download or QSAR

Found 202 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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284757
PNG
(US10023575, Example 48 | US10023575, Example 49 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)
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n/an/a 1.20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284757
PNG
(US10023575, Example 48 | US10023575, Example 49 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)
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n/an/a 1.35n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284755
PNG
(US10023575, Example 46 | US10023575, Example 47 | ...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O3/c1-11-7-25-17-13(8-26-28(17)9-11)18(30)27-19(4-5-31-10-16(19)29)14-3-2-12(6-15(14)21)20(22,23)24/h2-3,6-9,16,29H,4-5,10H2,1H3,(H,27,30)
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n/an/a 3.40n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284762
PNG
(US10023575, Example 53 | US10023575, Example 54 | ...)
Show SMILES CC1(O)COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32)
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n/an/a 3.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284755
PNG
(US10023575, Example 46 | US10023575, Example 47 | ...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O3/c1-11-7-25-17-13(8-26-28(17)9-11)18(30)27-19(4-5-31-10-16(19)29)14-3-2-12(6-15(14)21)20(22,23)24/h2-3,6-9,16,29H,4-5,10H2,1H3,(H,27,30)
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n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284764
PNG
(US10023575, Example 55 | US10023575, Example 83a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N4O3/c1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25/h3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30)
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n/an/a 5.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284767
PNG
(US10023575, Example 58 | US10023575, Example 92a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(COCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O3/c1-11-6-25-16-13(7-26-28(16)8-11)17(29)27-19(10-31-9-18(19,2)30)14-4-3-12(5-15(14)21)20(22,23)24/h3-8,30H,9-10H2,1-2H3,(H,27,29)
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284739
PNG
(US10023575, Example 30)
Show SMILES Fc1cc(ccc1C1(CCCOC1)NC(=O)c1cnn2cc(cnc12)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O2/c23-18-8-15(22(24,25)26)4-5-17(18)21(6-1-7-32-12-21)29-20(31)16-10-28-30-11-14(13-2-3-13)9-27-19(16)30/h4-5,8-11,13H,1-3,6-7,12H2,(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284762
PNG
(US10023575, Example 53 | US10023575, Example 54 | ...)
Show SMILES CC1(O)COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284777
PNG
(US10023575, Example 68 | US10023575, Example 69 | ...)
Show SMILES OC1COCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O3/c22-16-5-13(21(23,24)25)3-4-15(16)20(10-32-9-17(20)30)28-19(31)14-7-27-29-8-12(11-1-2-11)6-26-18(14)29/h3-8,11,17,30H,1-2,9-10H2,(H,28,31)
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284767
PNG
(US10023575, Example 58 | US10023575, Example 92a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(COCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O3/c1-11-6-25-16-13(7-26-28(16)8-11)17(29)27-19(10-31-9-18(19,2)30)14-4-3-12(5-15(14)21)20(22,23)24/h3-8,30H,9-10H2,1-2H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284770
PNG
(US10023575, Example 61 | US10023575, Example 90a |...)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1O)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H21F4N5O3/c1-11-17(19-28-7-13(12-2-3-12)9-31(19)30-11)20(33)29-21(4-5-34-10-16(21)32)18-15(23)6-14(8-27-18)22(24,25)26/h6-9,12,16,32H,2-5,10H2,1H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284710
PNG
(US10023575, Example 1)
Show SMILES Fc1cc(ccc1C1(CCOCC1)NC(=O)c1cnn2cc(cnc12)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O2/c23-18-9-15(22(24,25)26)3-4-17(18)21(5-7-32-8-6-21)29-20(31)16-11-28-30-12-14(13-1-2-13)10-27-19(16)30/h3-4,9-13H,1-2,5-8H2,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284770
PNG
(US10023575, Example 61 | US10023575, Example 90a |...)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1O)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H21F4N5O3/c1-11-17(19-28-7-13(12-2-3-12)9-31(19)30-11)20(33)29-21(4-5-34-10-16(21)32)18-15(23)6-14(8-27-18)22(24,25)26/h6-9,12,16,32H,2-5,10H2,1H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284764
PNG
(US10023575, Example 55 | US10023575, Example 83a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N4O3/c1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25/h3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284711
PNG
(US10023575, Example 2)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-12-9-25-17-14(10-26-28(17)11-12)18(29)27-19(4-6-30-7-5-19)15-3-2-13(8-16(15)21)20(22,23)24/h2-3,8-11H,4-7H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284769
PNG
(US10023575, Example 60)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-15(4-6-16)21(7-8-32-12-18(21)30)28-20(31)17-10-27-29-11-14(13-1-2-13)9-26-19(17)29/h3-6,9-11,13,18,30H,1-2,7-8,12H2,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284777
PNG
(US10023575, Example 68 | US10023575, Example 69 | ...)
Show SMILES OC1COCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O3/c22-16-5-13(21(23,24)25)3-4-15(16)20(10-32-9-17(20)30)28-19(31)14-7-27-29-8-12(11-1-2-11)6-26-18(14)29/h3-8,11,17,30H,1-2,9-10H2,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284775
PNG
(US10023575, Example 66)
Show SMILES Fc1cc(ccc1C1(CCOCC1=O)NC(=O)c1cnn2cc(cnc12)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12H,1-2,5-6,11H2,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284743
PNG
(US10023575, Example 34)
Show SMILES Fc1cc(ccc1C1(CCOC1)NC(=O)c1cnn2cc(cnc12)C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O2/c22-17-7-14(21(23,24)25)3-4-16(17)20(5-6-31-11-20)28-19(30)15-9-27-29-10-13(12-1-2-12)8-26-18(15)29/h3-4,7-10,12H,1-2,5-6,11H2,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284740
PNG
(US10023575, Example 31)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCCOC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-12-8-25-17-14(9-26-28(17)10-12)18(29)27-19(5-2-6-30-11-19)15-4-3-13(7-16(15)21)20(22,23)24/h3-4,7-10H,2,5-6,11H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284774
PNG
(US10023575, Example 65)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1O)c1ccc(cn1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H22F3N5O3/c1-12-18(19-27-8-14(13-2-3-13)10-30(19)29-12)20(32)28-21(6-7-33-11-17(21)31)16-5-4-15(9-26-16)22(23,24)25/h4-5,8-10,13,17,31H,2-3,6-7,11H2,1H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284744
PNG
(US10023575, Example 35)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O2/c1-11-7-24-16-13(8-25-27(16)9-11)17(28)26-18(4-5-29-10-18)14-3-2-12(6-15(14)20)19(21,22)23/h2-3,6-9H,4-5,10H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284800
PNG
(US10023575, Example 88a | US10023575, Example 88b)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1O)c1ccc(nc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H22F3N5O3/c1-12-18(19-27-8-14(13-2-3-13)10-30(19)29-12)20(32)28-21(6-7-33-11-17(21)31)15-4-5-16(26-9-15)22(23,24)25/h4-5,8-10,13,17,31H,2-3,6-7,11H2,1H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284726
PNG
(US10023575, Example 17)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H21F4N5O2/c1-12-17(19-28-9-14(13-2-3-13)11-31(19)30-12)20(32)29-21(4-6-33-7-5-21)18-16(23)8-15(10-27-18)22(24,25)26/h8-11,13H,2-7H2,1H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284757
PNG
(US10023575, Example 48 | US10023575, Example 49 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284781
PNG
(US10023575, Example 72 | US10023575, Example 73 | ...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(COCC1O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O3/c1-10-5-24-16-12(6-25-27(16)7-10)17(29)26-18(9-30-8-15(18)28)13-3-2-11(4-14(13)20)19(21,22)23/h2-7,15,28H,8-9H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284713
PNG
(US10023575, Example 4)
Show SMILES Cc1nn2cc(C)cnc2c1C(=O)NC1(CCOCC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C20H20ClFN4O2/c1-12-10-23-18-17(13(2)25-26(18)11-12)19(27)24-20(5-7-28-8-6-20)15-4-3-14(21)9-16(15)22/h3-4,9-11H,5-8H2,1-2H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284776
PNG
(US10023575, Example 67)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H16F4N4O3/c1-11-7-25-17-13(8-26-28(17)9-11)18(30)27-19(4-5-31-10-16(19)29)14-3-2-12(6-15(14)21)20(22,23)24/h2-3,6-9H,4-5,10H2,1H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284760
PNG
(US10023575, Example 51)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1O)c1ccc(nc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H22F3N5O3/c1-12-18(19-27-8-14(13-2-3-13)10-30(19)29-12)20(32)28-21(6-7-33-11-17(21)31)15-4-5-16(26-9-15)22(23,24)25/h4-5,8-10,13,17,31H,2-3,6-7,11H2,1H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284768
PNG
(US10023575, Example 59)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3/c1-12-8-24-17-15(9-25-27(17)10-12)18(29)26-19(6-7-30-11-16(19)28)13-2-4-14(5-3-13)20(21,22)23/h2-5,8-10,16,28H,6-7,11H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284771
PNG
(US10023575, Example 62 | US10023575, Example 91a |...)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1(C)O)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C23H23F4N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284741
PNG
(US10023575, Example 32)
Show SMILES FC(F)(F)c1ccc(cc1)C1(CCCOC1)NC(=O)c1cnn2cc(cnc12)C1CC1
Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)17-6-4-16(5-7-17)21(8-1-9-31-13-21)28-20(30)18-11-27-29-12-15(14-2-3-14)10-26-19(18)29/h4-7,10-12,14H,1-3,8-9,13H2,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284717
PNG
(US10023575, Example 8)
Show SMILES FC(F)(F)c1ccc(cc1)C1(CCOCC1)NC(=O)c1cnn2cc(cnc12)C1CC1
Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)17-5-3-16(4-6-17)21(7-9-31-10-8-21)28-20(30)18-12-27-29-13-15(14-1-2-14)11-26-19(18)29/h3-6,11-14H,1-2,7-10H2,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284757
PNG
(US10023575, Example 48 | US10023575, Example 49 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O3/c23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30/h3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284730
PNG
(US10023575, Example 21)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1)c1ccc(cn1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H22F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)17-5-4-16(11-26-17)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284749
PNG
(US10023575, Example 40 | US10023575, Example 80a |...)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOC1)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H19F4N5O2/c1-11-16(18-27-7-13(12-2-3-12)9-30(18)29-11)19(31)28-20(4-5-32-10-20)17-15(22)6-14(8-26-17)21(23,24)25/h6-9,12H,2-5,10H2,1H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284716
PNG
(US10023575, Example 7)
Show SMILES Fc1cc(Cl)ccc1C1(CCOCC1)NC(=O)c1cnn2cc(cnc12)C1CC1
Show InChI InChI=1S/C21H20ClFN4O2/c22-15-3-4-17(18(23)9-15)21(5-7-29-8-6-21)26-20(28)16-11-25-27-12-14(13-1-2-13)10-24-19(16)27/h3-4,9-13H,1-2,5-8H2,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284719
PNG
(US10023575, Example 10)
Show SMILES COc1cccc(c1F)C1(CCOCC1)NC(=O)c1cnn2cc(C)cnc12
Show InChI InChI=1S/C20H21FN4O3/c1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-5,10-12H,6-9H2,1-2H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284742
PNG
(US10023575, Example 33)
Show SMILES FC(F)(F)Oc1ccc(cc1)C1(CCCOC1)NC(=O)c1cnn2cc(cnc12)C1CC1
Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)32-17-6-4-16(5-7-17)21(8-1-9-31-13-21)28-20(30)18-11-27-29-12-15(14-2-3-14)10-26-19(18)29/h4-7,10-12,14H,1-3,8-9,13H2,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284749
PNG
(US10023575, Example 40 | US10023575, Example 80a |...)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOC1)c1ncc(cc1F)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H19F4N5O2/c1-11-16(18-27-7-13(12-2-3-12)9-30(18)29-11)19(31)28-20(4-5-32-10-20)17-15(22)6-14(8-26-17)21(23,24)25/h6-9,12H,2-5,10H2,1H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284734
PNG
(US10023575, Example 25)
Show SMILES Cc1nn2cc(cnc2c1C(=O)NC1(CCOCC1)c1ccc(nc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H22F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
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n/an/a 88n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284767
PNG
(US10023575, Example 58 | US10023575, Example 92a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(COCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O3/c1-11-6-25-16-13(7-26-28(16)8-11)17(29)27-19(10-31-9-18(19,2)30)14-4-3-12(5-15(14)21)20(22,23)24/h3-8,30H,9-10H2,1-2H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284762
PNG
(US10023575, Example 53 | US10023575, Example 54 | ...)
Show SMILES CC1(O)COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284766
PNG
(US10023575, Example 57)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H19F4N5O3/c22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30/h5-9,11,16,31H,1-4,10H2,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284718
PNG
(US10023575, Example 9)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O2/c1-13-10-24-17-16(11-25-27(17)12-13)18(28)26-19(6-8-29-9-7-19)14-2-4-15(5-3-14)20(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284731
PNG
(US10023575, Example 22)
Show SMILES Cc1nn2cc(C)cnc2c1C(=O)NC1(CCOCC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2/c1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)15-4-3-14(10-24-15)20(21,22)23/h3-4,9-11H,5-8H2,1-2H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284764
PNG
(US10023575, Example 55 | US10023575, Example 83a |...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(CCOCC1(C)O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F4N4O3/c1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25/h3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284781
PNG
(US10023575, Example 72 | US10023575, Example 73 | ...)
Show SMILES Cc1cnc2c(cnn2c1)C(=O)NC1(COCC1O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O3/c1-10-5-24-16-12(6-25-27(16)7-10)17(29)26-18(9-30-8-15(18)28)13-3-2-11(4-14(13)20)19(21,22)23/h2-7,15,28H,8-9H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284772
PNG
(US10023575, Example 63)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O3/c22-21(23,24)14-3-4-16(25-8-14)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29/h3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%