Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acrosin' and Ligand = 'BDBM50018993'   

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))	BDBM50018993 (CHEMBL3287463) Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C18H14N6O2.ClH/c19-10-11-1-5-13(6-2-11)22-17(25)15-9-16(26-24-15)12-3-7-14(8-4-12)23-18(20)21;/h1-9H,(H,22,25)(H4,20,21,23);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+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 acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry				Bioorg Med Chem Lett 24: 2802-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.118 BindingDB Entry DOI: 10.7270/Q2J38V4S
					More data for this Ligand-Target Pair