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Patent code US11034991

Compile Data Set for Download or QSAR
Found 6 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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504316
PNG
(N-(37-oxo-39-(4'-((trans)-2- | US11034991, Example...)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC1CCNCC1
Show InChI InChI=1S/C58H94N6O14S/c65-55(7-2-1-6-54-57-53(45-79-54)63-58(67)64-57)60-18-20-68-22-24-70-26-28-72-30-32-74-34-36-76-38-40-78-41-39-77-37-35-75-33-31-73-29-27-71-25-23-69-21-19-61-56(66)13-8-46-4-3-5-50(42-46)48-9-11-49(12-10-48)51-43-52(51)62-44-47-14-16-59-17-15-47/h3-5,9-12,42,47,51-54,57,59,62H,1-2,6-8,13-41,43-45H2,(H,60,65)(H,61,66)(H2,63,64,67)/t51-,52+,53-,54-,57-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504312
PNG
(US11034991, Example 1.1 | US11034991, Example 1.6)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C58H94N6O14S/c59-49-13-15-50(16-14-49)62-52-43-51(52)47-11-9-46(10-12-47)48-5-3-4-45(42-48)8-17-56(66)61-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-78-40-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-60-55(65)7-2-1-6-54-57-53(44-79-54)63-58(67)64-57/h3-5,9-12,42,49-54,57,62H,1-2,6-8,13-41,43-44,59H2,(H,60,65)(H,61,66)(H2,63,64,67)/t49-,50-,51-,52+,53-,54-,57-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504315
PNG
(N-(37-oxo-39-(4'-((trans)-2- | US11034991, Example...)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1
Show InChI InChI=1S/C57H92N6O14S/c64-54(7-2-1-6-53-56-52(44-78-53)62-57(66)63-56)59-18-20-67-22-24-69-26-28-71-30-32-73-34-36-75-38-40-77-41-39-76-37-35-74-33-31-72-29-27-70-25-23-68-21-19-60-55(65)13-8-45-4-3-5-48(42-45)46-9-11-47(12-10-46)50-43-51(50)61-49-14-16-58-17-15-49/h3-5,9-12,42,49-53,56,58,61H,1-2,6-8,13-41,43-44H2,(H,59,64)(H,60,65)(H2,62,63,66)/t50-,51+,52-,53-,56-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504312
PNG
(US11034991, Example 1.1 | US11034991, Example 1.6)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C58H94N6O14S/c59-49-13-15-50(16-14-49)62-52-43-51(52)47-11-9-46(10-12-47)48-5-3-4-45(42-48)8-17-56(66)61-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-78-40-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-60-55(65)7-2-1-6-54-57-53(44-79-54)63-58(67)64-57/h3-5,9-12,42,49-54,57,62H,1-2,6-8,13-41,43-44,59H2,(H,60,65)(H,61,66)(H2,63,64,67)/t49-,50-,51-,52+,53-,54-,57-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504313
PNG
(N-(27-(4'-((trans)-2-(((trans)-4- | US11034991, Ex...)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C50H78N6O10S/c51-41-13-15-42(16-14-41)54-44-35-43(44)39-11-9-38(10-12-39)40-5-3-4-37(34-40)8-17-48(58)53-19-21-61-23-25-63-27-29-65-31-33-66-32-30-64-28-26-62-24-22-60-20-18-52-47(57)7-2-1-6-46-49-45(36-67-46)55-50(59)56-49/h3-5,9-12,34,41-46,49,54H,1-2,6-8,13-33,35-36,51H2,(H,52,57)(H,53,58)(H2,55,56,59)/t41-,42-,43-,44+,45-,46-,49-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM504314
PNG
(N-(51-(4'-((trans)-2-(((trans)-4- | US11034991, Ex...)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1
Show InChI InChI=1S/C66H110N6O18S/c67-57-13-15-58(16-14-57)70-60-51-59(60)55-11-9-54(10-12-55)56-5-3-4-53(50-56)8-17-64(74)69-19-21-77-23-25-79-27-29-81-31-33-83-35-37-85-39-41-87-43-45-89-47-49-90-48-46-88-44-42-86-40-38-84-36-34-82-32-30-80-28-26-78-24-22-76-20-18-68-63(73)7-2-1-6-62-65-61(52-91-62)71-66(75)72-65/h3-5,9-12,50,57-62,65,70H,1-2,6-8,13-49,51-52,67H2,(H,68,73)(H,69,74)(H2,71,72,75)/t57-,58-,59-,60+,61-,62-,65-/m0/s1
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Oryzon Genomics S.A.

US Patent


Assay Description
KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me...


US Patent US11034991 (2021)

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