Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4 BDBM378824

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))	BDBM378824 (N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-...) Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1nnc(s1)C1CC1 Show InChI InChI=1S/C20H22N6OS/c27-18(20-24-23-19(28-20)16-6-7-16)22-17-12-25(13-17)9-15-8-21-26(11-15)10-14-4-2-1-3-5-14/h1-5,8,11,16-17H,6-7,9-10,12-13H2,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72	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