BDBM50436621 CHEMBL2397955

SMILES: CC(O)CN(CC(C)O)C(=O)c1cc(n[nH]1)-c1ccccc1

InChI Key: InChIKey=WZAAYXFDHGTELO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436621   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acrosin (Homo sapiens (Human))	BDBM50436621 (CHEMBL2397955) Show SMILES CC(O)CN(CC(C)O)C(=O)c1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C16H21N3O3/c1-11(20)9-19(10-12(2)21)16(22)15-8-14(17-18-15)13-6-4-3-5-7-13/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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