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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM293385'   
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))		BDBM293385
PNG
(N-((1S,4r)-4-((S)-3- aminobutanamido) cyclohexyl)-...)
Show SMILES COCCN([C@H]1CC[C@@H](CC1)NC(=O)C[C@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,15.17,wD:8.11,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Show InChI InChI=1S/C20H32N4O4/c1-13(21)11-19(25)22-15-5-7-16(8-6-15)24(9-10-27-2)20(26)17-12-18(28-23-17)14-3-4-14/h12-16H,3-11,21H2,1-2H3,(H,22,25)/t13-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl...

US Patent US10106510 (2018)


BindingDB Entry DOI: 10.7270/Q22V2J5G
More data for this
Ligand-Target Pair