Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM433066'   

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))	BDBM433066 (5-cyclopropyl-N-((1R,3r,5S)-8-(((1- methylpiperidi...) Show SMILES CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:6:9:12.11:16.15.14| Show InChI InChI=1S/C21H32N4O4S/c1-24-8-6-14(7-9-24)13-30(27,28)25-17-4-5-18(25)11-16(10-17)22-21(26)19-12-20(29-23-19)15-2-3-15/h12,14-18H,2-11,13H2,1H3,(H,22,26)/t16-,17+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
EPIZYME, INC. US Patent					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....				US Patent US10577363 (2020) BindingDB Entry DOI: 10.7270/Q2BZ68G7
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