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Patent code US10787434

Compile Data Set for Download or QSAR
Found 9 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
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463986
PNG
(US10787434, Example 4)
Show SMILES CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H33N5O4/c1-3-34-25-20(8-9-23(28-25)30-12-10-29(11-13-30)17(2)31)24(33)27-16-22(32)21-14-18-6-4-5-7-19(18)15-26-21/h4-9,21-22,26,32H,3,10-16H2,1-2H3,(H,27,33)/t21-,22+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50462568
PNG
(CHEMBL4248047 | US10787434, Example 5)
Show SMILES CC(=O)N1CCC(CC1)Oc1nccc(C(=O)NC[C@@H](O)[C@@H]2Cc3ccccc3CN2)c1Cl
Show InChI InChI=1S/C24H29ClN4O4/c1-15(30)29-10-7-18(8-11-29)33-24-22(25)19(6-9-26-24)23(32)28-14-21(31)20-12-16-4-2-3-5-17(16)13-27-20/h2-6,9,18,20-21,27,31H,7-8,10-14H2,1H3,(H,28,32)/t20-,21+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463983
PNG
(US10787434, Example 1)
Show SMILES CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCN(CC1)C(=O)OC
Show InChI InChI=1S/C25H33N5O5/c1-3-35-24-19(8-9-22(28-24)29-10-12-30(13-11-29)25(33)34-2)23(32)27-16-21(31)20-14-17-6-4-5-7-18(17)15-26-20/h4-9,20-21,26,31H,3,10-16H2,1-2H3,(H,27,32)/t20-,21+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463985
PNG
(US10787434, Example 3)
Show SMILES CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCCOCC1
Show InChI InChI=1S/C24H32N4O4/c1-2-32-24-19(8-9-22(27-24)28-10-5-12-31-13-11-28)23(30)26-16-21(29)20-14-17-6-3-4-7-18(17)15-25-20/h3-4,6-9,20-21,25,29H,2,5,10-16H2,1H3,(H,26,30)/t20-,21+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463984
PNG
(US10787434, Example 2)
Show SMILES CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCC(O)CC1
Show InChI InChI=1S/C24H32N4O4/c1-2-32-24-19(7-8-22(27-24)28-11-9-18(29)10-12-28)23(31)26-15-21(30)20-13-16-5-3-4-6-17(16)14-25-20/h3-8,18,20-21,25,29-30H,2,9-15H2,1H3,(H,26,31)/t20-,21+/m0/s1
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n/an/a 102n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463994
PNG
(US10787434, Example 8)
Show SMILES CCOc1c(NC2CCN(CC2)C(C)=O)nccc1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O4/c1-3-28-20-19(22(27)29-15-17-7-5-4-6-8-17)9-12-23-21(20)24-18-10-13-25(14-11-18)16(2)26/h4-9,12,18H,3,10-11,13-15H2,1-2H3,(H,23,24)
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n/an/a 135n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463990
PNG
(US10787434, Example 7)
Show SMILES CCOc1nc(OC2CCN(CC2)C(C)=O)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C26H34N4O5/c1-3-34-26-21(8-9-24(29-26)35-20-10-12-30(13-11-20)17(2)31)25(33)28-16-23(32)22-14-18-6-4-5-7-19(18)15-27-22/h4-9,20,22-23,27,32H,3,10-16H2,1-2H3,(H,28,33)/t22-,23+/m0/s1
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n/an/a 135n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463989
PNG
(US10787434, Example 6)
Show SMILES CCOc1cnc(CC2CCN(CC2)C(C)=O)cc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C27H36N4O4/c1-3-35-26-17-28-22(12-19-8-10-31(11-9-19)18(2)32)14-23(26)27(34)30-16-25(33)24-13-20-6-4-5-7-21(20)15-29-24/h4-7,14,17,19,24-25,29,33H,3,8-13,15-16H2,1-2H3,(H,30,34)/t24-,25+/m0/s1
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n/an/a 202n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM463995
PNG
(US10787434, Example 9)
Show SMILES CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCOCC1
Show InChI InChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20+/m0/s1
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n/an/a 251n/an/an/an/an/an/a



CTXT PTY, LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10787434 (2020)

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