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Patent code US11028101

Compile Data Set for Download or QSAR
Found 3 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))
BDBM502688
PNG
(US11028101, Compound 1)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2COCC1CC(O)C2
Show InChI InChI=1S/C28H35N3O6/c1-2-37-26-10-18(28(35)31-20-11-22(32)12-21(31)16-36-15-20)7-8-23(26)27(34)30-14-25(33)24-9-17-5-3-4-6-19(17)13-29-24/h3-8,10,20-22,24-25,29,32-33H,2,9,11-16H2,1H3,(H,30,34)/t20?,21?,22?,24-,25+/m0/s1
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n/an/a 19n/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 US11028101 (2021)

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


(Homo sapiens (Human))
BDBM425114
PNG
(US10519167, Compound 2 | US11028101, Compound 2)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2COCC1CC(O)C2
Show InChI InChI=1S/C29H37N3O6/c1-2-38-27-11-20(29(36)32-22-12-24(33)13-23(32)17-37-16-22)7-8-26(27)28(35)31-15-25(34)14-30-21-9-18-5-3-4-6-19(18)10-21/h3-8,11,21-25,30,33-34H,2,9-10,12-17H2,1H3,(H,31,35)/t22?,23?,24?,25-/m0/s1
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n/an/a 19n/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 US11028101 (2021)

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


(Homo sapiens (Human))
BDBM425115
PNG
(US10519167, Compound 3 | US11028101, Compound 3)
Show SMILES CCOc1cc(ccc1C(=O)N(C)C[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2
Show InChI InChI=1S/C28H35N3O5/c1-3-36-26-13-19(27(33)31-21-9-10-22(31)17-35-16-21)8-11-23(26)28(34)30(2)15-25(32)24-12-18-6-4-5-7-20(18)14-29-24/h4-8,11,13,21-22,24-25,29,32H,3,9-10,12,14-17H2,1-2H3/t21?,22?,24-,25+/m0/s1
PDB

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n/an/a 36n/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 US11028101 (2021)

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