Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM432836'   

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))	BDBM432836 (N-((1R,3R,5S)-8-(((1r,4R)-4- aminocyclohexyl)sulfo...) Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:14.15,11.11,1.0,wD:4.7,16.20,TLB:7:10:17.16.15:13.12,(-9.8,-.46,;-8.26,-.46,;-7.49,.87,;-5.95,.87,;-5.18,-.46,;-5.95,-1.8,;-7.49,-1.8,;-3.64,-.46,;-3.64,1.08,;-3.64,-2,;-2.1,-.46,;-1.46,-2.2,;-2.67,-1.24,;-2.67,.3,;-1.46,1.26,;.04,.92,;.71,-.47,;.04,-1.86,;2.25,-.47,;3.02,.86,;2.25,2.2,;4.56,.86,;5.47,-.38,;6.93,.09,;6.93,1.63,;5.47,2.11,;8.26,-.68,;9.03,-2.01,;9.8,-.68,)| Show InChI InChI=1S/C20H30N4O4S/c21-13-3-7-17(8-4-13)29(26,27)24-15-5-6-16(24)10-14(9-15)22-20(25)18-11-19(28-23-18)12-1-2-12/h11-17H,1-10,21H2,(H,22,25)/t13-,14-,15+,16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.30	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
					More data for this Ligand-Target Pair				3D Structure (crystal)