Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50097623'   

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
Trypsin (Homo sapiens (Human))	BDBM50097623 (3'-Carbamimidoyl-biphenyl-2-carboxylic acid (2'-su...) Show SMILES NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C26H22N4O3S/c27-25(28)19-7-5-6-18(16-19)21-8-1-2-10-23(21)26(31)30-20-14-12-17(13-15-20)22-9-3-4-11-24(22)34(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards human trypsin				Bioorg Med Chem Lett 11: 641-5 (2001) BindingDB Entry DOI: 10.7270/Q2RV0MZ2
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