BDBM336999 US9745291, Compound 269::US9745291, Compound 45::US9765068, Compound 45

SMILES c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O

InChI Key InChIKey=ZVCIZCPAJITPQB-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 336999   

LigandPNGBDBM336999(US9765068, Compound 45 | US9745291, Compound 269 |...)
Affinity DataIC50: 100nMAssay 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....More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM336999(US9765068, Compound 45 | US9745291, Compound 269 |...)
Affinity DataIC50: 550nMAssay 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....More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetProtein arginine N-methyltransferase 5(Human)
Epizyme

US Patent
LigandPNGBDBM336999(US9765068, Compound 45 | US9745291, Compound 269 |...)
Affinity DataIC50: 100nMAssay Description:Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM336999(US9765068, Compound 45 | US9745291, Compound 269 |...)
Affinity DataIC50: 11nMAssay Description:Inhibition of human full length FLAG-tagged PRMT5/human His6-tagged MEP50 expressed in baculovirus-infected Sf9 cells assessed as reduction in tritiu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein arginine N-methyltransferase 5(Human)
Epizyme

US Patent
LigandPNGBDBM336999(US9765068, Compound 45 | US9745291, Compound 269 |...)
Affinity DataIC50: 16nMAssay Description:Inhibition of PRMT5 in human Z138 cells assessed as reduction in symmetrical dimethylation of arginine containing substrate using SmD3 as substrate i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)