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BDBM50063678 CHEMBL3397323

SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cnn(Cc2ccccc2)c1

InChI Key: InChIKey=RNCWYNOSSMWXMM-LFASEEMHNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063678   
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))
BDBM50063678
PNG
(CHEMBL3397323)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cnn(Cc2ccccc2)c1 |r|
Show InChI InChI=1/C25H31N9O4S/c26-17(24(37)28-8-16-9-32-33(11-16)10-15-4-2-1-3-5-15)6-7-39-12-18-20(35)21(36)25(38-18)34-14-31-19-22(27)29-13-30-23(19)34/h1-5,9,11,13-14,17-18,20-21,25,35-36H,6-8,10,12,26H2,(H,28,37)(H2,27,29,30)/t17-,18+,20+,21+,25+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+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