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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2 (A677G)' and Ligand = 'BDBM190202'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EZH2 (A677G)


(Homo sapiens (Human))
BDBM190202
PNG
(EPZ008337 | US9175331, 32)
Show SMILES CCN(C1CCC(CC1)N(C)C)c1cc(OC2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;.24,-4.17,;1.33,-5.26,;1.33,-6.8,;2.42,-4.17,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|
Show InChI InChI=1S/C30H45N5O3/c1-8-35(23-11-9-22(10-12-23)33(5)6)28-15-24(38-25-17-34(7)18-25)14-26(21(28)4)29(36)31-16-27-19(2)13-20(3)32-30(27)37/h13-15,22-23,25H,8-12,16-18H2,1-7H3,(H,31,36)(H,32,37)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair