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SMILES: CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ccccc12

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 574865   
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))		BDBM574865
PNG
(US11459315, Example 21 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ccccc12 |r,wD:20.20,18.19,(-5.75,-.33,;-5.75,1.2,;-7.1,2.03,;-8.41,1.27,;-9.83,2.03,;-11.14,1.31,;-9.83,3.49,;-8.49,4.32,;-8.49,5.85,;-7.1,3.57,;-5.76,4.32,;-4.45,3.49,;-3.11,4.32,;-3.11,5.79,;-1.72,3.61,;-.38,4.2,;-.02,5.71,;.69,2.98,;2.2,3.21,;2.87,4.6,;3.15,1.99,;2.55,.56,;3.42,-.63,;4.93,-.47,;5.56,.96,;4.69,2.14,;5.84,-1.81,;5.68,-3.24,;7.14,-3.47,;7.38,-1.97,;8.05,-4.78,;9.6,-4.5,;10.51,-5.85,;10.23,-3.24,;11.14,-4.46,;-.14,1.75,;.34,.25,;-.65,-.82,;-2.12,-.51,;-2.55,.96,;-1.6,2.03,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair