Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.4 BDBM50544648

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
Myeloblastin (Homo sapiens (Human))	BDBM50544648 (CHEMBL4636971) Show SMILES CCCP(=O)(Oc1ccccc1)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C21H28NO4P/c1-4-15-27(24,26-19-13-9-6-10-14-19)20(17(2)3)22-21(23)25-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay				ACS Med Chem Lett 11: 1739-1744 (2020) Article DOI: 10.1021/acsmedchemlett.0c00284 BindingDB Entry DOI: 10.7270/Q29P357N
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