Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.3 BDBM50427031Purchase

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
NEDD8-activating enzyme E1 regulatory subunit (Homo sapiens (Human))	BDBM50427031 (CHEMBL2322197) Show SMILES OC(=O)CNC(=O)CNC(=O)COc1ccc2nc3CCCn3c(=O)c2c1 Show InChI InChI=1S/C17H18N4O6/c22-14(19-8-16(24)25)7-18-15(23)9-27-10-3-4-12-11(6-10)17(26)21-5-1-2-13(21)20-12/h3-4,6H,1-2,5,7-9H2,(H,18,23)(H,19,22)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of NAE (unknown origin)-catalyzed NEDD8-Ubcl2 intermediate formation by densitometric analysis				J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT
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