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SMILES: Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3nc(c[nH]3)C3CC3)cn2)cc1

InChI Key: InChIKey=FAONROFAUHXDEW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378744   
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))		BDBM378744
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3nc(c[nH]3)C3CC3)cn2)cc1
Show InChI InChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
US Patent
n/an/a 11n/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