Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50097631'   

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))	BDBM50097631 (4-(3-Carbamimidoyl-phenyl)-thiazole-5-carboxylic a...) Show SMILES NC(=N)c1cccc(c1)-c1ncsc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O3S2/c24-22(25)16-5-3-4-15(12-16)20-21(32-13-27-20)23(29)28-17-10-8-14(9-11-17)18-6-1-2-7-19(18)33(26,30)31/h1-13H,(H3,24,25)(H,28,29)(H2,26,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	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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