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BDBM343940 2-(2-(2-((3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)amino)pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholinoethanone::US9777008, Compound 234

SMILES: OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCOCC3)c2n1)CN1CCc2ccccc2C1

InChI Key: InChIKey=WDLCOWKDUYFLOG-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 = 343940   
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))
BDBM343940
PNG
(2-(2-(2-((3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hy...)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCOCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H33N7O3/c37-25(19-34-9-6-21-3-1-2-4-24(21)18-34)17-31-26-15-22(5-8-30-26)28-32-16-23-7-10-36(29(23)33-28)20-27(38)35-11-13-39-14-12-35/h1-5,7-8,10,15-16,25,37H,6,9,11-14,17-20H2,(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