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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 = 'BDBM297734'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297734
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...


US Patent US9732072 (2017)

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


(Homo sapiens (Human))
BDBM297734
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10118918 (2018)

More data for this
Ligand-Target Pair