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SMILES: CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1S(N)(=O)=O

InChI Key: InChIKey=TYBGVADSKUKMNP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 337123   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM337123
PNG
(US9745291, Compound 169 | US9765068, Compound 169)
Show SMILES CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1S(N)(=O)=O
Show InChI InChI=1S/C22H30N4O5S/c1-25(2)19-8-5-9-20(22(19)32(23,29)30)31-15-21(28)24-12-18(27)14-26-11-10-16-6-3-4-7-17(16)13-26/h3-9,18,27H,10-15H2,1-2H3,(H,24,28)(H2,23,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337123
PNG
(US9745291, Compound 169 | US9765068, Compound 169)
Show SMILES CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1S(N)(=O)=O
Show InChI InChI=1S/C22H30N4O5S/c1-25(2)19-8-5-9-20(22(19)32(23,29)30)31-15-21(28)24-12-18(27)14-26-11-10-16-6-3-4-7-17(16)13-26/h3-9,18,27H,10-15H2,1-2H3,(H,24,28)(H2,23,29,30)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US9745291 (2017)


BindingDB Entry DOI: 10.7270/Q2J1058K
More data for this
Ligand-Target Pair