Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4 BDBM50514714

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
Deoxyhypusine synthase (Homo sapiens)	BDBM50514714 (CHEMBL4572958) Show SMILES CC(C)(C)c1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C21H20N2OS/c1-21(2,3)14-8-7-13-11-19(25-18(13)12-14)20(24)23-17-6-4-5-16-15(17)9-10-22-16/h4-12,22H,1-3H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
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