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BDBM343953 US9777008, Compound 247

SMILES: CN1CCN(CC1)C(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1

InChI Key: InChIKey=JWRATQRSVDIFQE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 343953   
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343953
PNG
(US9777008, Compound 247)
Show SMILES CN1CCN(CC1)C(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C30H36N8O2/c1-35-12-14-37(15-13-35)28(40)21-38-11-8-24-17-33-29(34-30(24)38)23-6-9-31-27(16-23)32-18-26(39)20-36-10-7-22-4-2-3-5-25(22)19-36/h2-6,8-9,11,16-17,26,39H,7,10,12-15,18-21H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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 US9777008 (2017)

More data for this
Ligand-Target Pair