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Patent code US10781202

Compile Data Set for Download or QSAR
Found 10 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM463566
PNG
(Synthesis of (S)-2,3-dihydroxy-1-((3S,4S)-3-((R)-1...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1cnc(C)cn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C25H34N4O6/c1-15-8-27-23(9-26-15)28-10-18(11-28)35-22-7-17(5-6-21(22)34-4)19-12-29(24(33)20(32)13-30)14-25(19,3)16(2)31/h5-9,16,18-20,30-32H,10-14H2,1-4H3/t16-,19+,20+,25+/m1/s1
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US Patent
n/an/a 0.130n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463564
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hdyroxyethyl]-4- (4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1ccc(Cl)cn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C25H32ClN3O6/c1-15(31)25(2)14-29(24(33)20(32)13-30)12-19(25)16-4-6-21(34-3)22(8-16)35-18-10-28(11-18)23-7-5-17(26)9-27-23/h4-9,15,18-20,30-32H,10-14H2,1-3H3/t15-,19+,20+,25+/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463561
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- (4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1ccc(cn1)C#N)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C26H32N4O6/c1-16(32)26(2)15-30(25(34)21(33)14-31)13-20(26)18-5-6-22(35-3)23(8-18)36-19-11-29(12-19)24-7-4-17(9-27)10-28-24/h4-8,10,16,19-21,31-33H,11-15H2,1-3H3/t16-,20+,21+,26+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463562
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- (4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1cc(ccn1)C#N)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C26H32N4O6/c1-16(32)26(2)15-30(25(34)21(33)14-31)13-20(26)18-4-5-22(35-3)23(9-18)36-19-11-29(12-19)24-8-17(10-27)6-7-28-24/h4-9,16,19-21,31-33H,11-15H2,1-3H3/t16-,20+,21+,26+/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463563
PNG
((2S)-3-[(3S,4)S- 3-[(1R)-1- hydroxyethyl]-4- {4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1cc(Cl)ncn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C24H31ClN4O6/c1-14(31)24(2)12-29(23(33)18(32)11-30)10-17(24)15-4-5-19(34-3)20(6-15)35-16-8-28(9-16)22-7-21(25)26-13-27-22/h4-7,13-14,16-18,30-32H,8-12H2,1-3H3/t14-,17+,18+,24+/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463560
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- {4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1ncccn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C24H32N4O6/c1-15(30)24(2)14-28(22(32)19(31)13-29)12-18(24)16-5-6-20(33-3)21(9-16)34-17-10-27(11-17)23-25-7-4-8-26-23/h4-9,15,17-19,29-31H,10-14H2,1-3H3/t15-,18+,19+,24+/m1/s1
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US Patent
n/an/a 1.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463557
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- {4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1cccnc1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C25H33N3O6/c1-16(30)25(2)15-28(24(32)21(31)14-29)13-20(25)17-6-7-22(33-3)23(9-17)34-19-11-27(12-19)18-5-4-8-26-10-18/h4-10,16,19-21,29-31H,11-15H2,1-3H3/t16-,20+,21+,25+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463565
PNG
(Synthesis of (2S)-3-[(3S,4S)-3-[(1R)-1-hydroxyethy...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1ccncn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C24H32N4O6/c1-15(30)24(2)13-28(23(32)19(31)12-29)11-18(24)16-4-5-20(33-3)21(8-16)34-17-9-27(10-17)22-6-7-25-14-26-22/h4-8,14-15,17-19,29-31H,9-13H2,1-3H3/t15-,18+,19+,24+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463558
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- {4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1ccncc1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C25H33N3O6/c1-16(30)25(2)15-28(24(32)21(31)14-29)13-20(25)17-4-5-22(33-3)23(10-17)34-19-11-27(12-19)18-6-8-26-9-7-18/h4-10,16,19-21,29-31H,11-15H2,1-3H3/t16-,20+,21+,25+/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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


(Homo sapiens (Human))
BDBM463559
PNG
((2S)-3-[(3S,4S)- 3-[(1R)-1- hydroxyethyl]-4- {4-me...)
Show SMILES COc1ccc(cc1OC1CN(C1)c1cnccn1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C24H32N4O6/c1-15(30)24(2)14-28(23(32)19(31)13-29)12-18(24)16-4-5-20(33-3)21(8-16)34-17-10-27(11-17)22-9-25-6-7-26-22/h4-9,15,17-19,29-31H,10-14H2,1-3H3/t15-,18+,19+,24+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. T...


US Patent US10781202 (2020)

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