Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.5 BDBM378758

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378758 (1-cyclopropyl-N-(1-((1-(4-(methylthio)benzyl)-1H-p...) Show SMILES CSc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C21H25N7OS/c1-30-19-6-2-15(3-7-19)10-27-11-16(8-22-27)9-26-12-17(13-26)23-21(29)20-14-28(25-24-20)18-4-5-18/h2-3,6-8,11,14,17-18H,4-5,9-10,12-13H2,1H3,(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	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 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair