Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM378451'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378451 (N-((2S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfonyl)...) Show SMILES C[C@H]1CC(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1ccc2NC(=O)Cc2c1 |r| Show InChI InChI=1S/C24H30N4O4S/c1-15-12-19(26-23(30)16-4-9-21-17(13-16)14-22(29)27-21)10-11-28(15)33(31,32)20-7-5-18(6-8-20)24(2,3)25/h4-9,13,15,19H,10-12,14,25H2,1-3H3,(H,26,30)(H,27,29)/t15-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.47	n/a	n/a	n/a	n/a	n/a	n/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
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