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SMILES: CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=NBJNKEHREQNUCF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378698   
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
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))		BDBM378698
PNG
(N-(1-{1-[4-(benzyloxy)phenyl]ethyl}azetidin-3-yl)-...)
Show SMILES CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N4O2/c1-18(20-9-11-24(12-10-20)32-17-19-5-3-2-4-6-19)30-15-23(16-30)28-26(31)25-13-22(14-27-29-25)21-7-8-21/h2-6,9-14,18,21,23H,7-8,15-17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26.5n/an/an/an/an/an/a



ENSCMu



Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...

Bioorg Med Chem 14: 7241-57 (2006)


BindingDB Entry DOI: 10.7270/Q2DJ5HX2
More data for this
Ligand-Target Pair