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Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM378455'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM378455
PNG
(N-((2S,4S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfon...)
Show SMILES C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r|
Show InChI InChI=1S/C24H29ClN4O4S/c1-14-10-17(27-23(31)19-11-15-12-22(30)28-21(15)13-20(19)25)8-9-29(14)34(32,33)18-6-4-16(5-7-18)24(2,3)26/h4-7,11,13-14,17H,8-10,12,26H2,1-3H3,(H,27,31)(H,28,30)/t14-,17-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.98n/an/an/an/an/an/a



ENSCMu



Assay Description
The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....

Bioorg Med Chem 14: 7241-57 (2006)


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