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SMILES: Cn1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12

InChI Key: InChIKey=JJSMEMABSCDVRO-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 = 336977   
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))
BDBM336977
PNG
(US9745291, Compound 23 | US9765068, Compound 23)
Show SMILES Cn1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Show InChI InChI=1S/C22H26N4O3/c1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26/h2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28)
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))
BDBM336977
PNG
(US9745291, Compound 23 | US9765068, Compound 23)
Show SMILES Cn1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Show InChI InChI=1S/C22H26N4O3/c1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26/h2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28)
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