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BDBM337056 US9745291, Compound 102::US9765068, Compound 102

SMILES: CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1

InChI Key: InChIKey=YIKBEOLHWSWCGM-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 = 337056   
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))
BDBM337056
PNG
(US9745291, Compound 102 | US9765068, Compound 102)
Show SMILES CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O5S/c1-33(30,31)27-12-10-22-20(15-27)7-4-8-23(22)32-17-24(29)25-13-21(28)16-26-11-9-18-5-2-3-6-19(18)14-26/h2-8,21,28H,9-17H2,1H3,(H,25,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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))
BDBM337056
PNG
(US9745291, Compound 102 | US9765068, Compound 102)
Show SMILES CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O5S/c1-33(30,31)27-12-10-22-20(15-27)7-4-8-23(22)32-17-24(29)25-13-21(28)16-26-11-9-18-5-2-3-6-19(18)14-26/h2-8,21,28H,9-17H2,1H3,(H,25,29)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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