Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anionic trypsin' and Ligand = 'BDBM50060047'   

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
Anionic trypsin (Bos taurus)	BDBM50060047 (3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
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