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BDBM343956 US9777008, Compound 250

SMILES: CN1CCC(C1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1

InChI Key: InChIKey=MDDRTMKQCBUPQO-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 = 343956   
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))
BDBM343956
PNG
(US9777008, Compound 250)
Show SMILES CN1CCC(C1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C29H34N6O/c1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34/h2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31)
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