Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acrosin' and Ligand = 'BDBM50010113'   

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 (Sus scrofa)	BDBM50010113 (CHEMBL3245402) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccccc2)cc1 Show InChI InChI=1S/C18H22N2O2/c19-18(20)15-9-11-17(12-10-15)22-14-6-2-5-13-21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H3,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) BindingDB Entry DOI: 10.7270/Q2TT4SGN
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