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SMILES: COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](O)C3COC3)c(Cl)c2C1=O

InChI Key: InChIKey=HOFBNXGXIBQPDO-LJQANCHMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246970   
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))		BDBM50246970
PNG
(CHEMBL4060378)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](O)C3COC3)c(Cl)c2C1=O |r|
Show InChI InChI=1S/C21H22Cl2N2O5/c1-10-5-16(29-2)14(20(27)24-10)7-25-4-3-12-15(22)6-13(18(23)17(12)21(25)28)19(26)11-8-30-9-11/h5-6,11,19,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-/m1/s1
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Similars
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



WuXi AppTec

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISA

J Med Chem 61: 650-665 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01375
BindingDB Entry DOI: 10.7270/Q2X069G8
More data for this
Ligand-Target Pair