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SMILES: Clc1cccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)c1

InChI Key: InChIKey=JWUZDJIRXQOWOM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378804   
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))		BDBM378804
PNG
(N-(1-((1-(3-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1cccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)c1
Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-2-14(6-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-4-5-18/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12H2,(H,23,29)
PDB

UniProtKB/SwissProt

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n/an/a 24n/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