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BDBM337001 US9745291, Compound 47::US9765068, Compound 47

SMILES: CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1

InChI Key: InChIKey=HCRYIGPVUKXHRN-UHFFFAOYSA-N

Data: 2 IC50

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 = 337001   
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))
BDBM337001
PNG
(US9745291, Compound 47 | US9765068, Compound 47)
Show SMILES CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H26N2O5S/c1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23/h2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25)
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337001
PNG
(US9745291, Compound 47 | US9765068, Compound 47)
Show SMILES CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H26N2O5S/c1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23/h2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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