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BDBM50063673 CHEMBL3397328

SMILES: Cn1nc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1C1CCC1

InChI Key: InChIKey=ITWNOMFUGZGKAI-IBUHSJMZNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063673   
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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063673
PNG
(CHEMBL3397328)
Show SMILES Cn1nc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1C1CCC1 |r|
Show InChI InChI=1/C23H33N9O4S/c1-31-15(12-3-2-4-12)7-13(30-31)8-26-22(35)14(24)5-6-37-9-16-18(33)19(34)23(36-16)32-11-29-17-20(25)27-10-28-21(17)32/h7,10-12,14,16,18-19,23,33-34H,2-6,8-9,24H2,1H3,(H,26,35)(H2,25,27,28)/t14-,16+,18+,19+,23+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair