Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM50514707

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)	BDBM50514707 (CHEMBL4439037) Show SMILES NC(=O)c1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C18H13N3O2S/c19-17(22)11-5-4-10-8-16(24-15(10)9-11)18(23)21-14-3-1-2-13-12(14)6-7-20-13/h1-9,20H,(H2,19,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	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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