Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.1 BDBM50436598

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
Acrosin (Homo sapiens (Human))	BDBM50436598 (CHEMBL2397947) Show SMILES OCCCNC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1 Show InChI InChI=1S/C13H14BrN3O2/c14-10-4-2-9(3-5-10)11-8-12(17-16-11)13(19)15-6-1-7-18/h2-5,8,18H,1,6-7H2,(H,15,19)(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis				Bioorg Med Chem Lett 23: 4177-84 (2013) Article DOI: 10.1016/j.bmcl.2013.05.031 BindingDB Entry DOI: 10.7270/Q25Q4XHT
					More data for this Ligand-Target Pair