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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 (A687V)' and Ligand = 'BDBM190211'   
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 (A687V)


(Homo sapiens (Human))
BDBM190211
PNG
(EPZ008990 | US9175331, 47)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C1COC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:3.2,wD:6.9,(-2.67,-3.15,;-1.33,-3.92,;,-3.15,;1.33,-3.92,;2.67,-3.15,;4,-3.92,;4,-5.46,;2.67,-6.23,;1.33,-5.46,;5.33,-6.23,;6.67,-5.46,;5.33,-7.77,;4.25,-8.85,;5.33,-9.94,;6.42,-8.85,;,-1.61,;1.33,-.84,;1.33,.7,;2.67,1.47,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-2.67,3.01,;-4,3.78,;-4,5.32,;-5.33,6.09,;-6.67,5.32,;-5.33,7.63,;-4,8.4,;-4,9.94,;-2.67,7.63,;-2.67,6.09,;-1.33,5.32,;-1.33,-.84,;-2.67,-1.61,)|
Show InChI InChI=1/C28H39ClN4O3/c1-6-33(22-9-7-21(8-10-22)32(5)23-15-36-16-23)26-13-20(29)12-24(19(26)4)27(34)30-14-25-17(2)11-18(3)31-28(25)35/h11-13,21-23H,6-10,14-16H2,1-5H3,(H,30,34)(H,31,35)/t21-,22-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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