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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein arginine N-methyltransferase 5' and Ligand = 'BDBM425115'   
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))
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
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US Patent
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
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US10519167 (2019)


BindingDB Entry DOI: 10.7270/Q24T6MS5
More data for this
Ligand-Target Pair